Nearside-farside Research Articles

A single resonance Regge pole dominates the forward-angle scattering of the state-to-state F + H2 → FH + H reaction at Etrans = 62.09 meV.

The aim of the present paper is to bring clarity, through simplicity, to the important and long-standing problem: does a resonance contribute to the forward-angle scattering of the F + H2 reaction? We reduce the problem to its essentials and present a well-defined, yet rigorous and unambiguous, investigation of structure in the differential cross sections (DCSs) of the following three state-to-state reactions at a translational energy of 62.09 meV: F + H2(vi = 0, ji = 0, mi = 0) → FH(vf = 3, jf = 0, 1, 2, mf = 0) + H, where vi, ji, mi and vf, jf, mf are the initial and final vibrational, rotational and helicity quantum numbers respectively. Firstly, we carry out quantum-scattering calculations for the Fu-Xu-Zhang potential energy surface, obtaining accurate numerical scattering matrix elements for indistinguishable H2. The calculations use a time-independent method, with hyperspherical coordinates and an enhanced Numerov method. Secondly, the following theoretical techniques are employed to analyse structures in the DCSs: (a) full and Nearside-Farside (NF) partial wave series (PWS) and local angular momentum theory, including resummations of the full PWS up to second order. (b) The recently introduced "CoroGlo" test, which lets us distinguish between glory and corona scattering at forward angles for a Legendre PWS. (c) Six asymptotic (semiclassical) forward-angle glory theories and three asymptotic farside rainbow theories, valid for rainbows at sideward-scattering angles. (d) Complex angular momentum (CAM) theories of forward and backward scattering, with the Regge pole positions and residues computed by Thiele rational interpolation. Thirdly, our conclusions for the three PWS DCSs are: (a) the forward-angle peaks arise from glory scattering. (b) A broad (hidden) farside rainbow is present at sideward angles. (c) A single Regge pole contributes to the DCS across the whole angular range, being most prominent at forward angles. This proves that a resonance contributes to the DCSs for the three transitions. (d) The diffraction oscillations in the DCSs arise from NF interference, in particular, interference between the Regge pole and direct subamplitudes.

Landing site of the Chang’e-6 lunar farside sample return mission from the Apollo basin

To address questions about the multiple lunar nearside–farside dichotomies and to provide new insights into both the early impact history of the Solar System and the geological evolution of the Moon, the Chang’e-6 (CE-6) landing zone has been selected to lie within the lunar farside South Pole–Aitken (SPA) basin in the southern part of the Apollo basin (150–158° W, 41–45° S), a site that provides access to a diversity of SPA material. Here, we describe the geomorphology, geology and chronology of three candidate sampling sites within this zone that are likely to ensure safe landing and sampling. The geological characteristics indicate that CE-6 is expected to collect lunar farside SPA ejecta fragments, possible mantle material and young (roughly 2.40 Gyr-year-old) and/or old (roughly 3.43 Gyr-year-old) basaltic material, all of which will provide important guidance for future in situ farside sample collection and deepen our understanding of the evolution of the Moon.

Influence of Regge poles on rainbow angular scattering for state-to-state chemical reactions using Heisenberg’s S matrix programme

Two powerful theories for state-to-state chemical reactions are brought together for the first time. The first theory incorporates Regge pole positions and residues into the partial wave (PW) scattering (S) matrix. The second theory is a ‘weak’ version of Heisenberg’s Scattering Matrix Programme (wHSMP). It uses four general physical principles to suggest simple parameterised forms for the S matrix. The wHSMP is particularly useful for understanding generic structures in differential cross sections (DCSs). Our initial S matrix parameterisation has no Regge poles, but it exhibits a rainbow in the DCS using a Legendre PW series. We then introduce Regge poles for three examples into the S matrix and investigate their influence on the rainbow scattering. We find that inclusion of Regge poles ‘pushes’ the rainbow angle to larger values. We also employ Nearside-Farside (NF) PW and Local Angular Momentum PW theories, including up to three resummations. The recently introduced ‘CoroGlo’ test is used to distinguish between glory and corona scattering in the forward direction. We apply full and NF asymptotic (semiclassical) rainbow theories: the uniform and transitional Airy approximations for the farside scattering. We prove that structure in the no-pole and with-pole DCSs are examples of primary and supernumerary rainbows.

Nearside-Farside Analysis of the Angular Scattering for the State-to-State H + HD → H2 + D Reaction: Nonzero Helicities.

We theoretically analyze the differential cross sections (DCSs) for the state-to-state reaction, H + HD(vi = 0, ji = 0, mi = 0) → H2(vf = 0, jf = 1,2,3, mf = 1,..,jf) + D, over the whole range of scattering angles, where v, j, and m are the vibrational, rotational, and helicity quantum numbers for the initial and final states. The analysis extends and complements previous calculations for the same state-to-state reaction, which had jf = 0,1,2,3 and mf = 0, as reported by XiahouC.; ConnorJ. N. L.Phys. Chem. Chem. Phys.2021, 23, 13349–1336934096934. Motivation comes from the state-of-the-art experiments and simulations of Yuan et al.Nature Chem.2018, 10, 653–65829686377 who have measured, for the first time, fast oscillations in the small-angle region of the degeneracy-averaged DCSs for jf = 1 and 3 as well as slow oscillations in the large-angle region. We start with the partial wave series (PWS) for the scattering amplitude expanded in a basis set of reduced rotation matrix elements. Then our main theoretical tools are two variants of Nearside-Farside (NF) theory applied to six transitions: (1) We apply unrestricted, restricted, and restrictedΔ NF decompositions to the PWS including resummations. The restricted and restrictedΔ NF DCSs correctly go to zero in the forward and backward directions when mf > 0, unlike the unrestricted NF DCSs, which incorrectly go to infinity. We also exploit the Local Angular Momentum theory to provide additional insights into the reaction dynamics. Properties of reduced rotation matrix elements of the second kind play an important role in the NF analysis, together with their caustics. (2) We apply an approximate N theory at intermediate and large angles, namely, the Semiclassical Optical Model of Herschbach. We show there are two different reaction mechanisms. The fast oscillations at small angles (sometimes called Fraunhofer diffraction/oscillations) are an NF interference effect. In contrast, the slow oscillations at intermediate and large angles are an N effect, which arise from a direct scattering, and are a “distorted mirror image” mechanism. We also compare these results with the experimental data.

Glories, hidden rainbows and nearside-farside interference effects in the angular scattering of the state-to-state H + HD → H2 + D reaction.

Yuan et al. [Nat. Chem., 2018, 10, 653] have reported state-of-the-art measurements of differential cross sections (DCSs) for the H + HD → H2 + D reaction, measuring for the first time fast oscillations in the small-angle forward region of the DCSs. We theoretically analyse the angular scattering dynamics in order to quantitatively understand the physical content of structure in the DCSs. We study the H + HD(vi = 0, ji = 0, mi = 0) → H2(vf = 0, jf = 0,1,2,3, mf = 0) + D reaction for the whole range of scattering angles from θR = 0° to θR = 180°, where v, j, m are the vibrational, rotational and helicity quantum numbers respectively for the initial and final states. The restriction to mf = 0 arises because states with mf ≠ 0 have DCSs that are identically zero in the forward (θR = 0°) and backward (θR = 180°) directions. We use accurate quantum scattering matrix elements computed by Yuan et al. at a translational energy of 1.35 eV for the BKMP2 potential energy surface. The following theoretical techniques are employed to analyse the DCSs: (a) full and nearside-farside (NF) partial wave series (PWS) and local angular momentum theory, including resummations of the full PWS up to third order. We also use window representations of the scattering matrix, which give rise to truncated PWS, (b) six asymptotic (semiclassical) small-angle glory theories and four N rainbow theories, (c) we introduce "CoroGlo" tests, which let us distinguish between glory and corona scattering at small angles for Legendre PWS, (d) the semiclassical optical model (SOM) of Herschbach is employed to understand structure in the DCSs at intermediate and large angles. Our conclusions are: (a) the small-angle peaks in the DCSs arise mainly from glory scattering. For the 000 → 020 transition, there is also a contribution from a broad, or hidden, N rainbow, (b) at larger angles, the fast oscillations in the DCSs arise from NF interference, (c) the N scattering in the fast oscillation region contains a hidden rainbow for the 000, 020, 030 cases. For the 000 → 020 transition, the rainbow extends up to θR ≈ 60°; for the 000 and 030 cases, the angular ranges containing a N rainbow are smaller, (d) at intermediate and backward angles, the slowly varying DCSs, which merge into slow oscillations, are explained by the SOM. Physically it shows this structure in a DCS arises from direct scattering and is a distorted mirror image of the corresponding probability versus total angular momentum quantum number plot.

Rainbows, supernumerary rainbows and interference effects in the angular scattering of chemical reactions: effect of varying the modulus of the S matrix in the context of Heisenberg’s S matrix programme

We investigate the existence of primary rainbows, supernumerary rainbows and diffraction interference effects in the product differential cross sections (DCSs) of state-to-state chemical reactions. The rainbows can be ‘pronounced’ or ‘hidden’. Our theoretical approach uses a ‘weak’ version of Heisenberg’s scattering matrix programme (wHSMP) introduced by Shan and Connor 2011 Phys. Chem. Chem. Phys. 13 8392. This wHSMP uses four general physical principles for chemical reactions to suggest simple parametrised forms for the S matrix; it does not employ a potential energy surface. We use a realistic parametrization in which the modulus of the S matrix is the sum of a smooth-step function and a gaussian function; both are functions of the total angular momentum quantum number, J. We then vary the parameters in the modulus. The phase of the S matrix is a cubic polynomial in J, which is held fixed. We demonstrate for a Legendre partial wave series (PWS) the existence of primary rainbows and supernumerary rainbows (both pronounced and hidden) as well as diffraction interference effects, in reactive DCSs. We find that reactive rainbows can be complicated in their structure. We also analyse for five examples, the angular scattering using nearside–farside (NF) PWS theory, including resummations of the PWS. In addition, we apply full and NF asymptotic (semiclassical) rainbow theories to the PWS—in particular, the uniform Airy and transitional Airy approximations for the farside scattering. This lets us prove that structures in the DCSs are indeed primary rainbows, supernumerary rainbows as well as diffraction interference effects. Our calculations complement and extend those in an earlier paper by Shan et al 2018 Phys. Chem. Chem. Phys. 20 819, in which the modulus of the S matrix is held fixed, whilst the phase is varied.

Rainbows, supernumerary rainbows and interference effects in the angular scattering of chemical reactions: an investigation using Heisenberg's S matrix programme.

In earlier research, we have demonstrated that broad "hidden" rainbows can occur in the product differential cross sections (DCSs) of state-to-state chemical reactions. Here we ask the question: can pronounced and localized rainbows, rather than broad hidden ones, occur in reactive DCSs? Further motivation comes from recent measurements by H. Pan and K. Liu, J. Phys. Chem. A, 2016, 120, 6712, of a "bulge" in a reactive DCS, which they conjecture is a rainbow. Our theoretical approach uses a "weak" version of Heisenberg's scattering matrix program (wHSMP) introduced by X. Shan and J. N. L. Connor, Phys. Chem. Chem. Phys., 2011, 13, 8392. This wHSMP uses four general physical principles for chemical reactions to suggest simple parameterized forms for the S matrix; it does not employ a potential energy surface. We use a parameterization in which the modulus of the S matrix is a smooth-step function of the total angular momentum quantum number, J, and (importantly) its phase is a cubic polynomial in J. We demonstrate for a Legendre partial wave series (PWS) the existence of pronounced rainbows, supernumerary rainbows, and other interference effects, in reactive DCSs. We find that reactive rainbows can be more complicated in their structure than the familiar rainbows of elastic scattering. We also analyse the angular scattering using Nearside-Farside (NF) PWS theory and NF PWS Local Angular Momentum (LAM) theory, including resummations of the PWS. In addition, we apply full and NF asymptotic (semiclassical) rainbow theories to the PWS - in particular, the uniform Airy and transitional Airy approximations for the farside scattering. This lets us prove that structure in the DCSs are indeed rainbows, supernumerary rainbows as well as other interference effects.

State-to-State F + H2 Reaction at Etrans = 0.04088 eV: QP Decomposition, Parametrized S Matrix Incorporating Regge Poles, and Uniform Asymptotic Complex Angular Momentum Analysis of the Angular Scattering

We report two new contributions for understanding the quantum dynamics of the benchmark state-to-state reaction, F + H2(vi, ji, mi) → FH(vf, jf, mf) + H, where (vi, ji, mi) and (vf, jf, mf) are the initial and final vibrational, rotational, and helicity quantum numbers, respectively. We analyze product differential cross sections (DCSs) for the transitions, 000 → 300, 000 → 310, and 000 → 320, at a translational energy of 0.04088 eV using the potential energy surface of Fu-Xu-Zhang. The two new contributions are as follows: (1) We exploit the recently introduced QP decomposition of J. N. L. Connor [ J. Chem. Phys . 2013 , 138 , 124310 ] to transform numerical partial-wave scattering (S) matrix elements for the three transitions into parametrized (analytic) formulas, in which all terms in the three parametrized S matrices have a direct physical interpretation. In particular, they contain the positions and residues of Regge poles in the first quadrant of the complex angular momentum (CAM) plane. We obtain very close agreement between the values of the parametrized and numerical S matrix elements. (2) We then apply a uniform asymptotic Watson/CAM theory, which allows a Regge pole to be close to a saddle point. It uses the parametrized S matrices and is applied to the partial wave series (PWS) representation for the scattering amplitude to understand structure in a DCS in terms of three contributing subamplitudes. We prove using this powerful CAM theory that resonance Regge poles contribute to the small-angle scattering in the DCSs for all three transitions, with the oscillations at larger angles arising from nearside-farside interference. We obtain very good agreement between the uniform asymptotic Watson/CAM DCSs and the corresponding PWS DCSs, except for angles close to the forward and backward directions, where (as expected) the Watson/CAM formulas become nonuniform.

Angular Scattering Dynamics of the CH4 + Cl → CH3 + HCl Reaction Using Nearside-Farside, Local Angular Momentum, and Resummation Theories.

The differential cross section (DCS) for the CH4 + Cl → CH3 + HCl reaction is studied at six total energies where all of the species are in their ground states. The scattering (S) matrix elements have been calculated by the rotating line umbrella method for a dual-level ab initio analytic potential energy surface. We make the first application to this reaction of nearside-farside (NF) and local angular momentum (LAM) techniques, including resummation orders (r) of 0, 1, 2, and 3 for the partial-wave series representation of the full scattering amplitude. We find that resummation usually cleans the NF r = 0 DCSs of unphysical oscillations, especially at small angles. This cleaning effect is typically most pronounced when changing from no resummation (r = 0) to r = 1; further resummations from r = 1 to r = 2 and from r = 2 to r = 3 have smaller effects. The NF DCS analyses show that the reaction is N-dominated at sideward and large angles, whereas at small angles there are oscillations caused by NF interference. The NF LAM analysis provides consistent and complementary information, in particular for the total angular momenta that contribute to the reaction at different scattering angles. The NF analyses also provide justification for simpler N-dominant dynamical theories such as the semiclassical optical model, which provides an explanation for the distorted mirror image effect for the moduli of the S matrix elements and the DCSs, as well as the use of a hard-sphere DCS over limited angular ranges.

Nearside-farside, local angular momentum and resummation theories: Useful tools for understanding the dynamics of complex-mode reactions

A valuable tool for understanding the dynamics of direct reactions is Nearside-Farside (NF) scattering theory. It makes a decomposition of the (resummed) partial wave series for the scattering amplitude, both for the differential cross section (DCS) and the Local Angular Momentum (LAM). This paper makes the first combined application of these techniques to complex-mode reactions. We ask if NF theory is a useful tool for their identification, in particular, can it distinguish complex-mode from direct-mode reactions? We also ask whether NF theory can identify NF interference oscillations in the full DCSs of complex-mode reactions. Our investigation exploits the fact that accurate quantum scattering matrix elements have recently become available for complex-mode reactions. We first apply NF theory to two simple models for the scattering amplitude of a complex-mode reaction: One involves a single Legendre polynomial; the other involves a single Legendre function of the first kind, whose form is suggested by complex angular momentum theory. We then study, at fixed translational energies, four state-to-state complex-mode reactions. They are: S(1D) + HD → SH + D, S(1D) + DH → SD + H, N(2D) +H2 → NH + H, and H+ + D2 → HD + D+. We compare the NF results for the DCSs and LAMs with those for a state-to-state direct reaction, namely, F + H2 → FH + H. We demonstrate that NF theory is a valuable tool for identifying and analyzing the dynamics of complex-mode reactions.

Semiclassical glory analyses in the time domain for the H + D2(vi = 0, ji = 0) → HD(vf = 3, jf = 0) + D reaction

We make the first application of semiclassical (SC) techniques to the plane-wavepacket formulation of time-domain (T-domain) scattering. The angular scattering of the state-to-state reaction, H + D(2)(v(i) = 0, j(i) = 0) → HD(v(f) = 3, j(f) = 0) + D, is analysed, where v and j are vibrational and rotational quantum numbers, respectively. It is proved that the forward-angle scattering in the T-domain, which arises from a delayed mechanism, is an example of a glory. The SC techniques used in the T-domain are: An integral transitional approximation, a semiclassical transitional approximation, a uniform semiclassical approximation (USA), a primitive semiclassical approximation and a classical semiclassical approximation. Nearside-farside (NF) scattering theory is also employed, both partial wave and SC, since a NF analysis provides valuable insights into oscillatory structures present in the full scattering pattern. In addition, we incorporate techniques into the SC theory called "one linear fit" and "two linear fits", which allow the derivative of the quantum deflection function, Θ̃(')(J), to be estimated when Θ̃J exhibits undulations as a function of J, the total angular momentum variable. The input to our SC analyses is numerical scattering (S) matrix data, calculated from accurate quantum collisional calculations for the Boothroyd-Keogh-Martin-Peterson potential energy surface No. 2, in the energy domain (E-domain), from which accurate S matrix elements in the T-domain are generated. In the E-domain, we introduce a new technique, called "T-to-E domain SC analysis." It half-Fourier transforms the E-domain accurate quantum scattering amplitude to the T-domain, where we carry out a SC analysis; this is followed by an inverse half-Fourier transform of the T-domain SC scattering amplitude back to the E-domain. We demonstrate that T-to-E USA differential cross sections (DCSs) agree well with exact quantum DCSs at forward angles, for energies where a direct USA analysis in the E-domain fails.

Rainbows and glories in the angular scattering of the state-to-state F + H2 reaction at Etrans = 0.04088 eV

State-of-the-art differential cross sections (DCSs) have been reported by Wang et al. [Proc. Nat. Acad. Sci. (U.S.), 2008, 105, 6227] for the state-to-state F + H(2)→ FH + H reaction using fully quantum-state-selected crossed molecular beams. We theoretically analyze the angular scattering of this reaction, in order to quantitatively understand the physical content of structure in the DCSs. Three transitions are studied, v(i)=0, j(i)=0, m(i)=0 → v(f)=3, j(f)=0, 1, 2, m(f)=0 at a translational energy of 0.04088 eV, where v, j, m are the vibrational, rotational and helicity quantum numbers respectively for the initial and final states. The input to our analyses consists of accurate quantum scattering (S) matrix elements computed for the Fu-Xu-Zhang potential energy surface, as used by Wang et al. in a computational simulation of their experimental DCSs. We prove that the pronounced peak at forward angles observed in the experimental and simulated DCSs for all three transitions is a glory. At larger angles, it is demonstrated that the 000 → 300 and 000 → 310 DCSs both possess a broad farside rainbow, which is accompanied by diffraction oscillations. We confirm the conjecture of Wang et al. that these diffraction oscillations arise from nearside-farside (NF) interference. We find that the reaction is N dominant for all three transitions. The theoretical techniques used to analyze the angular scattering include uniform semiclassical theories of glory and of rainbow scattering. We also make the first application of a semiclassical formula that is uniform for both glory + rainbow scattering. In addition, structure in the DCSs is analyzed using NF theory and local angular momentum theory, in both cases with three resummations of the partial wave series for the scattering amplitude. We make the first explicit application of the Thiele rational interpolation formula to extract the position and residue of the leading Regge pole from a set of S matrix elements, thereby making contact with complex angular momentum theories of DCSs, which interpret the angular scattering in terms of Regge resonances. Our calculations complement the exit-valley vibrationally-adiabatic analysis of Wang et al.

Dynamics of the I + HI → IH + I reaction: application of nearside–farside, local angular momentum and resummation theories using the Fuller and Hatchell decompositions

The differential cross section (DCS) for the I + HI(v(i) = 0, j(i) = 0) --> IH(v(f) = 0, j(f) = 2) + I reaction at a translational energy of 21.3 meV is studied, where v(i), j(i) and v(f), j(f) are vibrational, rotational quantum numbers for the initial and final states respectively. We apply new theoretical developments (since 2001) in nearside-farside (NF) theory to provide insights into intricate oscillatory structures in its DCS. It is shown that a simple physically-meaningful parameterization of the scattering (S) matrix, using a background Gaussian term plus a single Regge pole and a quadratic phase, can reproduce, in the forward and sideward directions, the intricate angular scattering obtained from numerical S matrix elements computed from a quantum Born-Oppenheimer-Centrifugal-Sudden scattering technique. This encouraging result suggests that many S matrix elements obtained from computer-intensive calculations can be parameterized in a similar physically-meaningful way. The manner in which the full and NF DCSs change when the Regge pole becomes progressively less important compared to the Gaussian term is also investigated. We report the first application to reactive scattering of the Hatchell NF decomposition, including resummations of the Legendre partial wave series for the scattering amplitude. The Hatchell NF resummed DCSs are compared with the corresponding Fuller NF resummed DCSs for resummation orders of r = 0, 1, 2 and 3. We find that the Fuller NF decomposition always provides a better physical interpretation of the angular scattering. Resummation usually cleans the NF DCSs of unphysical oscillations, especially in the farside (F) DCSs, with the greatest cleaning effect on going from no resummation (r = 0) to first order resummation (r = 1). Identities are derived which relate the Fuller and Hatchell NF subamplitudes for resummation orders, r > 0, to the NF unresummed subamplitudes, r = 0. These identities help us understand the origin of unexpected peaks, which sometimes appear in NF resummed DCSs, together with a simple procedure to remove them. We report Local Angular Momentum (LAM) and DCS x LAM (CLAM) analyses of the angular scattering for r = 0 and r = 1 using the Fuller NF decomposition. The LAM and CLAM analyses provide complementary (yet consistent) information to that obtained from the NF resummed DCSs. It is shown that the "l window representation", as used to analyse elastic scattering in the presence of strong absorption, is a special case of the general resummation theory developed in this paper.

Filtering Reaction Dynamics Using Nearside−Farside Theory and Local Angular Momentum Theory: Application to the Angular Scattering of the H + D2(vi = 0, ji = 0) → HD(vf = 3, jf = 0) + D Reaction in the Energy and Time Domains

We investigate methods for filtering reaction mechanisms in the angular scattering of the state-to-state reaction, H + D(2)(v(i) = 0, j(i) = 0, m(i) = 0) --> HD(v(f) = 3, j(f) = 0, m(f) = 0) + D, where v(i), j(i), and m(i) and v(f), j(f), and m(f) are initial and final vibrational, rotational, and helicity quantum numbers, respectively. The input to our filtrations is a new set of accurate quantum scattering matrix elements for total energies in the range 1.52-2.50 eV (in steps of 0.01 eV) and for total angular momentum quantum numbers in the range, 0-40, in steps of unity. We filter reaction mechanisms in both the energy domain and the time domain. The time-domain calculations employ the plane wave packet formulation of time-dependent scattering. The theoretical tools used are nearside-farside (NF) analysis of partial wave series for scattering amplitudes, together with NF local angular momentum (LAM) theory. An energy-domain LAM analysis reveals the existence of an important dynamical feature in the N scattering, a "trench" which bisects the (energy, angle) plane. We use the location of this trench to approximately filter two reaction mechanisms. Transformation to the time domain demonstrates that the two reaction mechanisms correspond to direct and delayed (by about 25 fs) scattering. Further analysis, including filtration in the time domain, shows that the pronounced LAM trench arises from the interference of the energy-domain analogues of the time-direct and time-delayed scattering. Our theory and results provide the first successful demonstration of reaction mechanism filtering carried out directly in the (energy, angle) domain. The calculations and results in this paper extend and complement earlier research reported by Monks, Connor, and Althorpe (Monks, P. D. D.; Connor, J. N. L.; Althorpe, S. C. J. Phys. Chem. A 2006, 110, 741; J. Phys. Chem. A 2007, 111, 10302).

Current bombardment of the Earth–Moon system: Emphasis on cratering asymmetries

We calculate the current spatial distribution of projectile delivery to the Earth and Moon using numerical orbital dynamics simulations of candidate impactors drawn from a debiased Near-Earth Object (NEO) model. We examine the latitude distribution of impactor sites and find that for both the Earth and Moon there is a small deficiency of time-averaged impact rates at the poles. The ratio between deliveries within 30° of the pole to that of a 30° band centered on the equator is small for Earth (<5%) ( 0.958 ± 0.001 ) and somewhat greater for the Moon (∼10%) ( 0.903 ± 0.005 ). The terrestrial arrival results are examined to determine the degree of AM/PM asymmetry to compare with the PM excess shown in meteorite fall times. We find that the average lunar impact velocity is 20 km/s, which has ramifications in converting observed crater densities to impactor size distributions. We determine that current crater production on the leading hemisphere of the Moon is 1.28 ± 0.01 that of the trailing when considering the ratio of craters within 30° of the apex to those within 30° of the antapex and that there is virtually no nearside–farside asymmetry, in agreement with observations of rayed craters. As expected, the degree of leading–trailing asymmetry increases when the Moon's orbital distance is decreased.

Nearside−Farside and Local Angular Momentum Analyses of Time-Independent Scattering Amplitudes for the H + D2 (vi = 0, ji = 0) → HD (vf = 3, jf = 0) + D Reaction

The scattering dynamics of the state-to-state reaction H + D2 (v(i) = 0, j(i) = 0, m(i) = 0) --> HD (v(f) = 3, j(f) = 0, m(f) = 0) + D is investigated, where vi, ji, mi and vf, jf, mf are initial and final vibrational, rotational, and helicity quantum numbers, respectively. We use accurate quantum scattering matrix elements for total energies in the range 1.52-2.50 eV (calculated stepwise in 0.01 eV increments). The theoretical tools used are a nearside-farside (NF) analysis of the partial wave series (PWS) for the scattering amplitude, together with NF local angular momentum (LAM) theory. We find that the backward scattering, which is the energy-domain analog of the time-direct reaction mechanism, is N dominated, whereas the forward scattering (time-delayed analog) is a result of NF interference between the more slowly varying N and F subamplitudes. The LAM analysis reveals the existence of a "trench-ridge" structure. We also resum the PWS up to three times prior to making the NF decomposition. We show that such resummations usually provide an improved physical interpretation of the NF differential cross sections (DCSs) and NF LAMs. We analyze two resummed scattering amplitudes in more detail, where particular values of the resummation parameters give rise to unexpected unphysical behavior in the N and F DCSs over a small angular range. We analyze the cause of this unphysical behavior and describe viable workarounds to the problem. The energy-domain calculations in this paper complement the time-domain results reported earlier by Monks, P. D. D.; Connor, J. N. L.; Althorpe, S. C. J. Phys. Chem. A 2006, 110, 741.

NearFar: A computer program for nearside–farside decomposition of heavy-ion elastic scattering amplitude

The NearFar program is a package for carrying out an interactive nearside–farside decomposition of heavy-ion elastic scattering amplitude. The program is implemented in Java to perform numerical operations on the nearside and farside angular distributions. It contains a graphical display interface for the numerical results. A test run has been applied to the elastic O 16 + Si 28 scattering at E lab = 1503 MeV . Program summary Title of program: NearFar Catalogue identifier: ADYP_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADYP_v1_0 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: none Computers: designed for any machine capable of running Java, developed on PC-Pentium-4 Operating systems under which the program has been tested: Microsoft Windows XP (Home Edition) Program language used: Java Number of bits in a word: 64 Memory required to execute with typical data: case dependent No. of lines in distributed program, including test data, etc.: 3484 Number of bytes distributed program, including test data, etc.: 142 051 Distribution format: tar.gz Other software required: A Java runtime interpreter, or the Java Development Kit, version 5.0 Nature of physical problem: Interactive nearside–farside decomposition of heavy-ion elastic scattering amplitude. Method of solution: The user must supply a external data file or PPSM parameters which calculates theoretical values of the quantities to be decomposed. Typical running time: Problem dependent. In a test run, it is about 35 s on a 2.40 GHz Intel P4-processor machine.

Local angular momentum–local impact parameter analysis: Derivation and properties of the fundamental identity, with applications to the F+H2, H+D2, and Cl+HCl chemical reactions

The technique of local angular momentum-local impact parameter (LAM-LIP) analysis has recently been shown to provide valuable dynamical information on the angular scattering of chemical reactions under semiclassical conditions. The LAM-LIP technique exploits a nearside-farside (NF) decomposition of the scattering amplitude, which is assumed to be a Legendre partial wave series. In this paper, we derive the "fundamental NF LAM identity," which relates the full LAM to the NF LAMs (there is a similar identity for the LIP case). Two derivations are presented. The first uses complex variable techniques, while the second exploits an analogy between the motion of the scattering amplitude in the Argand plane with changing angle and the classical mechanical motion of a particle in a plane with changing time. Alternative forms of the fundamental LAM-LIP identity are described, one of which gives rise to a CLAM-CLIP plot, where CLAM denotes (Cross section) x LAM and CLIP denotes (Cross section) x LIP. Applications of the NF LAM theory, together with CLAM plots, are reported for state-to-state transitions of the benchmark reactions F+H2-->FH+H, H+D2-->HD+D, and Cl+HCl-->ClH+Cl, using as input both numerical and parametrized scattering matrix elements. We use the fundamental LAM identity to explain the important empirical observation that a NF cross section analysis and a NF LAM analysis provide consistent (and complementary) information on the dynamics of chemical reactions.

A comparative nearside-farside analysis of the He–N2 + and He–N2 inelastic collisions

A comparative study of the inelastic scattering of 14N2 + and 14N2 in collision with 3He atoms is presented. The unrestricted nearside-farside (NF) method proposed by Connor [J. Chem. Phys. 104, 2297 (1995)] is applied to analyse the Close Coupling rotationally state selected angular distributions for four kinetic energies. These four energies illustrate different regimes of the dynamics. The relationships between the structures of the calculated differential cross-sections (DCS) and the different regions of the potential energy surfaces involved which can be extracted from semi classical models are here easily obtained from a simple reading of the (NF) figures. At the higher energy far-off the wells (1000 cm-1) the shape of the DCS are quite similar for the two systems and their nearside-farside components also, showing that the inelastic process is controlled by the short range repulsive part of the potential which is essentially the same for these two collisions. When the energy is decreased the differences between the two wells associated with the He–N2 + and He–N2 complexes are responsible for the differences between the DCS for the two systems. The farside component associated with the well become more and more prominent for the elastic scattering while inelastic scattering remains controlled by the repulsive core in a large angular interval. The nearside farside analysis gives also a new picture of a resonance which is regarded as an equilibrium between the repulsive and the attractive parts of the potential.

Theory of forward glory scattering for chemical reactions: accuracy of semiclassical approximations using a J -shifted Eckart parameterization for the scattering matrix element

The accuracy of the semiclassical theory of forward glory scattering for a state-to-state chemical reaction is investigated using a J-shifted Eckart parameterization for the scattering matrix element. The parameters are chosen initially to model the angular scattering of the H+D2→HD(vf=3)+D reaction, following D. Sokolovski (Chem. Phys. Lett., 370, 805 (2003)). Then the parameters are systematically varied to generate different scattering patterns. The theory assumes that the scattering amplitude can be expanded in a Legendre partial wave series (PWS). The theoretical techniques applied to the PWS include: a nearside–farside decomposition, and a local angular momentum (LAM) analysis; both techniques include resummations of the PWS. The semiclassical techniques used include: a uniform semiclassical approximation (USA), a primitive semiclassical approximation, a classical semiclassical approximation, an integral transitional approximation, a semiclassical transitional approximation and a semiclassical LAM. The LAM for the classical collision of two hard spheres is also employed. It is demonstrated that the USA can accurately describe glory oscillations for scattering angles on and near the forward direction (as defined by the axial caustic associated with the glory); in favourable cases the USA is accurate for sideward scattering angles and even for angles close to the backward direction.