Proposed Wave Function Research Articles

Correlated Coulomb-Volkov approach and its application to the angular distributions of two-photon double ionization of helium

We investigate the double-ionization process of helium in brief and intense laser fields of 10, 16, and 40 optical cycles, linearly polarized with an intensity of 5×1012Wcm−2. We calculate the total two-photon double-ionization cross section for photon energies ranging from 39.5 to 54 eV and the triple-differential cross sections at a photon energy of 42 eV, using the correlated Coulomb-Volkov approach, which takes into account the interaction of the laser field with each electron (Volkov phase) and interactions of Coulombian nature between electrons and between electrons and the nucleus. The proposed wave function has the advantage of being much less time consuming due to the fact that it does not require a numerical propagation of the wave packet. The results of our calculations obtained for the nonsequential double photoionization are compared with previously reported data and good agreement is found with approaches using projections onto uncorrelated continuum states. This indicates that the disagreements that remain between some theoretical models for the process studied cannot simply be attributed to the electronic correlation in the continuum states. Published by the American Physical Society 2024

Fractional Quantum Hall States of the A Phase in the Second Landau Level.

A proposal of the existence of an Anomalous phase (A phase) [Das etal., Phys. Rev. Lett. 131, 056202 (2023)PRLTAO0031-900710.1103/PhysRevLett.131.056202] at the experimental range of moderate Landau-level-mixing strength has recently been made for the 5/2 state. We here report that the gapped A phase is generic to the sequence of spin-polarized fractional quantum Hall states with filling fractions ν=n/(nm-1) and ν=1-n/(nm-1), (n≥1,m≥3), that exhausts almost all the observed states and also predicts some states in the second Landau level for GaAs systems. Our proposed trial wave functions for all these states have remarkably high overlaps with the corresponding exact ground states and can support non-Abelian quasiparticle excitations with charge e/[2(nm-1)]. By analyzing edge modes, we predict experimentally verifiable thermal Hall conductance 2.5(π^{2}k_{B}^{2}T/3h) for all the states in these sequences.

Você esqueceu mesmo uma função Delta?

This is the third article in a series dedicated to examining the use of the delta function in the physics literature. Here we discuss the appearance of a delta function in the second derivative of the wave function if its derivative is discontinuous. When this happens it is often claimed in the literature that the proposed wave function must be eigenfunction of an operator that contains a delta function and, in some cases, it is rejected. We study in this paper what we believe are alternatives ways to deal with this situation.

Anomalous Reentrant 5/2 Quantum Hall Phase at Moderate Landau-Level-Mixing Strength.

A successful probing of the neutral Majorana mode in recent thermal Hall conductivity measurements opines in favor of the particle-hole symmetric Pfaffian (PH-Pf) topological order, contrasting the theoretical predictions of Pfaffian or anti-Pfaffian phases. Here we report a reentrant anomalous quantized phase that is found to be gapped in the thermodynamic limit, distinct from the conventional Pfaffian, anti-Pfaffian, or PH-Pf phases, at an intermediate strength of Landau level mixing. Our proposed wave function consistent with the PH-Pf shift in spherical geometry rightly captures the topological order of this phase, as its overlap with the exact ground state is very high and it reproduces low-lying entanglement spectra. A unique topological order, irrespective of the flux shifts, found for this phase, possibly corroborates the experimentally found topological order.

Unconventional filling factor of 4/11: A closed-form ground-state wave function

The ground state at 4/11 filling factor is very well understood, Mukherjee et al. [Phys. Rev. Lett. 112, 016801 (2014)] in terms of the 1/3-filled second effective Landau level of the composite fermions whose correlations resemble that of electrons in the ground state of a two-body Haldane pseudo-potential of relative angular momentum 3, ${V}_{3}$. We here propose a closed-form ground-state wave function for ${V}_{3}$ at 1/3 filling factor. We successfully compare it with the exact wave function for systems with a few electrons by calculating their mutual overlap, pair-correlation function, and entanglement spectra. By numerical exact diagonalization for a few electron systems, we find a window of nonzero ${V}_{3}$ is essential together with ${V}_{1}$ for being 4/11 state incompressible. The constructed wave function for the 4/11 state using this proposed wave function has satisfactorily high overlap with previously studied composite-fermion-diagonalized ground-state wave function.

An explicitly correlated helium wave function in hyperspherical coordinates

Wave functions of a new functional kind has been proposed in this work for helium-like atoms. These functions depend explicitly on interelectronic and hyperspherical coordinates. The best ground state energy for the helium atom -2.903724376677a.u. has been calculated using the variational method with a basis including a single exponential parameter. To our knowledge, this is the best result so far using of hyperspherical coordinates. Comparable result has been obtained for the hydrogen anion. For helium atom, our best wave functions matched the Kato cusp conditions within an accuracy below 6.10-4. An important feature of proposed wave functions is the inclusion of negative powers of R=(r12+r22) in combination with positive powers of r12 into the wave function. We showed that this is necessary condition for proposed wave function to be a formal solution of Schrödinger equation.

A Green's function approach to the nonrelativistic radial wave equation of hydrogen atom

We report an efficient and consistent method for the solution of Schrödinger wave equation using the Green's function technique and its successful application to the nonrelativistic radial wave equation of hydrogen atom. For the radial wave equation, the Green's function is worked out analytically by means of Laplace transform method and the wave function is proposed under the boundary conditions. Computationally the product of potential term, the proposed wave function and the Green's function are integrated iteratively to get the nonrelativistic radial wave function. The resultant wave after each iteration is normalized and plotted against the standard nonrelativistic radial wave function. The solution converges to the standard wave with the increasing number of iterations. Results are verified for the first 15 states of hydrogen atom. The method adopted here can be extended to many‐body problem and hope that it can enhance our knowledge about complex systems.

Charge, proton and neutron systems and matter radii of N ≈ Z odd-mass nuclei using a particle-number projection approach in the T = 1 pairing case

The charge radii, the proton and neutron systems radii, as well as the matter radii of [Formula: see text] odd-mass nuclei are studied using a particle-number projection approach in the neutron–proton (np) isovector ([Formula: see text]) pairing case. Expressions of the proton and neutron systems quadratic radii are first established within a projection after variation method (i.e., of PBCS type) using a recently proposed wave function for odd-mass nuclei. It is checked that they reduce to the ones obtained in the like-particles pairing case. The new expressions are then used to study numerically the various radii of nuclei such as [Formula: see text] and [Formula: see text], using the single-particle energies of a Woods–Saxon mean-field. It is shown that the few available experimental data are satisfactorily described by means of the present work approach. Furthermore, it appears that the np pairing and projection effects on the various radii are small on average in the case of odd-mass nuclei. However, the relative discrepancies with the values when only the pairing between like-particles is taken into account or the values obtained before the projection may reach up to 3% or 4% for some nuclei.

Featureless quantum insulator on the honeycomb lattice

We show how to construct fully symmetric, gapped states without topological order on a honey- comb lattice for S = 1/2 spins using the language of projected entangled pair states(PEPS). An explicit example is given for the virtual bond dimension D = 4. Four distinct classes differing by lattice quantum numbers are found by applying the systematic classification scheme introduced by two of the authors [S. Jiang and Y. Ran, Phys. Rev. B 92, 104414 (2015)]. Lack of topological degeneracy or other conventional forms of symmetry breaking, and the existence of energy gap in the proposed wave functions, are checked by numerical calculations of the entanglement entropy and various correlation functions. Our work provides the first explicit realization of a featureless quantum insulator for spin-1/2 particles on a honeycomb lattice.

The effect of meson wave function on heavy-quark fragmentation function

We calculate the process-independent fragmentation functions (FFs) for a heavy quark to fragment into heavy mesons considering the effects of meson wave function. In all previous works, where the FFs of heavy mesons or heavy baryons were calculated, a delta function form was approximated for the wave function of hadrons. Here, for the first time, we consider a typical mesonic wave function which is different from the delta function and is the nonrelativistic limit of the solution of Bethe-Salpeter equation with the QCD kernel. We shall present our numerical results for the heavy FFs and show how the proposed wave function improves the previous results. As an example, we focus on the fragmentation function for c -quark to split into S -wave $ D^0$ -meson and compare our results with experimental data from BELLE and CLEO.

Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo

We introduce a novel class of local multideterminant Jastrow-Slater wave functions for the efficient and accurate treatment of excited states in quantum Monte Carlo. The wave function is expanded as a linear combination of excitations built from multiple sets of localized orbitals that correspond to the bonding patterns of the different Lewis resonance structures of the molecule. We capitalize on the concept of orbital domains of local coupled-cluster methods, which is here applied to the active space to select the orbitals to correlate and construct the important transitions. The excitations are further grouped into classes, which are ordered in importance and can be systematically included in the Jastrow-Slater wave function to ensure a balanced description of all states of interest. We assess the performance of the proposed wave function in the calculation of vertical excitation energies and excited-state geometry optimization of retinal models whose π → π* state has a strong intramolecular charge-transfer character. We find that our multiresonance wave functions recover the reference values of the total energies of the ground and excited states with only a small number of excitations and that the same expansion can be flexibly used at very different geometries. Furthermore, significant computational saving can also be gained in the orbital optimization step by selectively mixing occupied and virtual orbitals based on spatial considerations without loss of accuracy on the excitation energy. Our multiresonance wave functions are therefore compact, accurate, and very promising for the calculation of multiple excited states of different character in large molecules.

Variational Monte Carlo method for electron-phonon coupled systems

We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to electron-phonon coupled systems have been severely restricted because of its large Hilbert space. Here, we propose a variational wave function with a large number of variational parameters which is suitable and tractable for systems with electron-phonon coupling. In the proposed wave function, we implement an unexplored electron-phonon correlation factor which takes into account the effect of the entanglement between electrons and phonons. The method is applied to systems with diagonal electron-phonon interactions, i.e. interactions between charge densities and lattice displacements (phonons). As benchmarks, we compare VMC results with previous results obtained by the exact diagonalization, the Green function Monte Carlo and the density matrix renormalization group for the Holstein and Holstein-Hubbard model. From these benchmarks, we show that the present method offers an efficient way to treat strongly coupled electron-phonon systems.

Light-front quark model consistent with Drell-Yan-West duality and quark counting rules

We propose a phenomenological light-front wave function for hadrons with arbitrary twist-dimension (mesons, baryons and multiquark states), which gives the correct scaling behavior of structure functions (parton distributions) and form factors for pions and nucleons. For other hadronic states the proposed wave function produces form factors consistent with quark counting rules, and gives predictions for structure functions (parton distributions). As an application we build a light-front quark model for nucleons based on the proposed wave function.

Measurements of quasiparticle tunneling in theυ=52fractional quantum Hall state

Some models of the 5/2 fractional quantum Hall state predict that the quasiparticles, which carry the charge, have non-Abelian statistics: exchange of two quasiparticles changes the wave function more dramatically than just the usual change of phase factor. Such non-Abelian statistics would make the system less sensitive to decoherence, making it a candidate for implementation of topological quantum computation. We measure quasiparticle tunneling as a function of temperature and dc bias between counterpropagating edge states. Fits to theory give ${e}^{*}$, the quasiparticle effective charge, close to the expected value of e/4 and $g$, the strength of the interaction between quasiparticles, close to 3/8. Fits corresponding to the various proposed wave functions, along with qualitative features of the data, strongly favor the Abelian 331 state.

VARIATIONAL COMPUTATIONS FOR EXCITONS IN QUANTUM DOTS: A QUANTUM MONTE CARLO STUDY

A study of variational wave functions for calculation of the ground-state energies of excitons confined in a two-dimensional (2D) disc-like and three-dimensional (3D) spherical parabolic GaAs quantum dots (QDs) is presented. We have used four variational trial wave functions constructed as the harmonic-oscillator basis multiplied by different correlation functions. The proposed correlation function formed by including linear expansion in terms of Hylleraas-like coordinates to the Jastrow factor is able to capture nearly exactly the ground-state energies of 3D excitons, and it properly account for the results of 2D excitons. Quantum Monte Carlo techniques combined with the proposed wave function are a powerful tool for studying excitons in parabolic QDs.

Calculation of Energy and Other Properties of Muonic Helium Atom Using Boundary Conditions of Wave Function

The properties of muonic helium atom (4He+2μ−e−) in ground state are considered. In this work, the energy and average distance between particles have been obtained using a wave function, which satisfies boundary conditions. It is shown that the obtained energy are very close to the values calculated by others. But the small differences of the expectation values of r2n are due to the incorporated boundary conditions in proposed wave function and are expected.

Variational study of the neutron resonance mode in the cuprate superconductors

A Gutzwiller-type variational wave function is proposed for the neutron resonance mode in the cuprate superconductors. An efficient re-weighting technique is devised to perform variational Monte Carlo simulation on the proposed wave function which is composed of linearly superposed Gutzwiller projected Slater determinants. The calculation, which involves no free parameter, predicts qualitatively correct behavior for both the energy and the spectral weight of the resonance mode as functions of doping.

Prediction of gas‐phase 13C nuclear magnetic shielding constants using ONIOM and optimally selected basis functions

AbstractThe wave functions for calculating gas‐phase 13C nuclear magnetic shielding constants of 22 molecules have been optimally selected using factorial design as a multivariate technique. GIAO and CSGT methods were used for computation of shielding constants. Different wave functions for different types of carbons were recommended. A wave function as the best level of the theory is proposed for almost similar carbons. ONIOM approach for molecules with different types of carbons is applied. The results of GIAO method using the proposed wave function are in very good agreement with the experimental values. An additional series (21 carbons) were used as test sets and their results confirmed the validity of the approaches. © 2008 Wiley Periodicals, Inc.Concepts Magn Reson Part A 32A: 449–461, 2008.

Gutzwiller scheme for electrons and phonons: The half-filled Hubbard-Holstein model

We analyze the ground-state properties of strongly correlated electrons coupled with phonons by means of a generalized Gutzwiller wave function, which includes phononic degrees of freedom. We study in detail the paramagnetic half-filled Hubbard-Holstein model, where the electron-electron interaction can lead to a Mott transition and the electron-phonon coupling to a bipolaronic transition. We critically discuss the quality of the proposed wave function in describing the various transitions and crossovers that occur as a function of the parameters. Previous variational attempts are recovered as particular choices of the wave function, while keeping all the variational freedom allows to access regions of the phase diagram, otherwise inaccessible within previous variational approaches.

CALCULATION OF THE GROUND STATE HYPERFINE STRUCTURE FOR MUONIC HELIUM ATOMS WITH THE USE OF SOME LOCAL PROPERTIES OF THE WAVE FUNCTIONS

The ground-state hyperfine structure and other properties are calculated for muonic helium atoms (3 He +2μ-e- and 4 He +2μ-e-), with the use of some local properties of the wave functions in the domains where two particles are close to each other or far away. Simple wave functions incorporating these properties with one variational parameter is developed. Also, the electron-muon correlation function is considered in proposed wave functions. It has a correct behavior for r12 tending to zero and infinity. The calculated values for hyperfine structure, energy and expectation values of r2n in ground-state, are compared with the multibox variational approach and the correlation function hyperspherical harmonic method. Our obtained results are very close to the values calculated by mentioned methods and giving strong indications that the proposed wave functions in addition to being very simple, provide relatively accurate values for hyperfine structure, energy and expectation values of r2n, emphasizing on the importance of the local properties of the wave functions.