Partition Function Research Articles

Superconformal monodromy defects in ABJM and mABJM theory

Abstract We study D = 11 supergravity solutions which are dual to one-dimensional superconformal defects in d = 3 SCFTs. We consider defects in ABJM theory with monodromy for U(1)4 ⊂ SO(8) global symmetry, as well as in 𝒩 = 2 mABJM SCFT, which arises from the RG flow of a mass deformation of ABJM theory, with monodromy for U(1)3 ⊂ SU(3) × U(1) global symmetry. We show that the defects of the two SCFTs are connected by a line of bulk marginal mass deformations and argue that they are also related by bulk RG flow. In all cases we allow for the possibility of conical singularities at the location of the defect. Various physical observables of the defects are computed including the defects conformal weight and the partition function, as well as associated supersymmetric Renyi entropies.

Systematic study on the hydrogen abstraction reactions from oxygenated compounds by H and HO2

AbstractTo extend the rule‐based approach for hydrogen abstraction reactions from oxygenated compounds, a systematic investigation was performed to examine the reactivity of gas‐phase hydrogen abstraction reactions from alkyl groups (methyl and ethyl groups) bound to oxygen atoms in five types of oxygenated compounds (alcohols, ethers, formate esters, acetate esters, and carbonate esters) by H atoms and HO2 radicals comprehensively considering rotational conformers. Quantum chemical calculations were conducted at the CBS‐QB3 level for stationary points. Rate constants were determined employing conventional transition state theory (TST). For hydrogen abstraction reactions by H, the rotational conformer distribution partition function was employed to approximate partition functions, owing to the similarity in vibrational energy‐level structures among conformers. In hydrogen abstraction reactions by HO2, the vibrational structures of transition‐state (TS) conformers varied significantly due to the hydrogen bonding, leading to an inappropriate evaluation of rate constants when using the lowest‐energy conformer as a representative. Therefore, the rate constants were calculated by the multi‐structural TST. It was revealed that the differences in functional groups containing O atoms mainly affect the bond dissociation energies of the C–H bonds and the activation energies of hydrogen abstraction reactions only when the C atoms are adjacent to the O atoms. Additionally, it was found that hydrogen bonds formed in the TSs show minor effect on rate parameters for the overall rate constants, apart from the reduction of the pre‐exponential factors for the H‐abstraction reactions from the methylene position of ethyl groups. The comparison with the rate constants from previous studies showed reasonable results, indicating that the rate constants in this study, which thoroughly consider rotational conformers, can be the current best estimates.

Initial tensor construction and dependence of the tensor renormalization group on initial tensors

We propose a method to construct a tensor network representation of partition functions without singular value decompositions nor series expansions. The approach is demonstrated for one- and two-dimensional Ising models and we study the dependence of the tensor renormalization group (TRG) on the form of the initial tensors and their symmetries. We further introduce variants of several tensor renormalization algorithms. Our benchmarks reveal a significant dependence of various TRG algorithms on the choice of initial tensors and their symmetries. However, we show that the boundary TRG technique can eliminate the initial tensor dependence for all TRG methods. The numerical results of TRG calculations can thus be made significantly more robust with only a few changes in the code. Furthermore, we study a three-dimensional Z2 gauge theory without gauge fixing and confirm the applicability of the initial tensor construction. Our method can straightforwardly be applied to systems with longer range and multisite interactions, such as the next-nearest neighbor Ising model. Published by the American Physical Society 2024

Baby universe operators in the ETH matrix model of double-scaled SYK

We consider the baby universe operator Ba\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\mathcal{B}}_a $$\\end{document} in the double-scaled SYK (DSSYK) model, which creates a baby universe of size a. We find that Ba\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\mathcal{B}}_a $$\\end{document} is written in terms of the transfer matrix T, and vice versa. In particular, the identity operator on the chord Hilbert space is expanded as a linear combination of Ba\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ {\\mathcal{B}}_a $$\\end{document}, which implies that the disk partition function of DSSYK is written as a linear combination of trumpets. We also find that the thermofield double state of DSSYK is generated by a pair of baby universe operators, which corresponds to a double trumpet. This can be thought of as a concrete realization of the idea of ER=EPR.

Elliptic Stable Envelopes for Certain Non-Symplectic Varieties and Dynamical $R$-Matrices for Superspin Chains from the Bethe/Gauge Correspondence

We generalize Aganagic-Okounkov's theory of elliptic stable envelopes, and its physical realization in Dedushenko-Nekrasov's and Bullimore-Zhang's works, to certain varieties without holomorphic symplectic structure or polarization. These classes of varieties include, in particular, classical Higgs branches of 3d $\mathcal N=2$ quiver gauge theories. The Bethe/gauge correspondence relates such a gauge theory to an anisotropic/elliptic superspin chain, and the stable envelopes compute the $R$-matrix that solves the dynamical Yang-Baxter equation (dYBE) for this spin chain. As an illustrative example, we solve the dYBE for the elliptic $\mathfrak{sl}(1|1)$ spin chain with fundamental representations using the corresponding 3d $\mathcal N=2$ SQCD whose classical Higgs branch is the Lascoux resolution of a determinantal variety. Certain Janus partition functions of this theory on $I \times \mathbb E$ for an interval $I$ and an elliptic curve $\mathbb E$ compute the elliptic stable envelopes, and in turn the geometric elliptic $R$-matrix, of the anisotropic $\mathfrak{sl}(1|1)$ spin chain. Furthermore, we consider the 2d and 1d reductions of elliptic stable envelopes and the $R$-matrix. The reduction to 2d gives the K-theoretic stable envelopes and the trigonometric $R$-matrix, and a further reduction to 1d produces the cohomological stable envelopes and the rational $R$-matrix. The latter recovers Rimányi-Rozansky's results that appeared recently in the mathematical literature.

Computation and Applications of Gaussian Integrals in Mathematics and Applied Sciences

Gaussian integrals, particularly those involving the function e−x2 , play a central role in various fields, ranging from physics to finance. This paper explores the computation of Gaussian integrals, beginning with the fundamental integral in the interval −∞ to ∞, which yields π . The author extends this analysis to integrals involving powers of x multiplied by e−x2 , showing their relevance in calculating moments in quantum mechanics and probability theory. Additionally, the author discusses the applications of multivariate Gaussian integrals in machine learning and statistical mechanics, where they are key to solving problems in high-dimensional spaces. Practical examples are provided from quantum mechanics (path integrals), statistical mechanics (partition functions), finance (option pricing models), and machine learning (Gaussian processes). Through these examples, the paper highlights the versatility and universality of Gaussian integrals as essential tools in both theoretical and applied contexts. The integral’s widespread applicability reflects its importance in connecting mathematical theory with real-world phenomena. This work highlights the role played by the Gaussian integral.

Partition Function Zeros of the Frustrated J1–J2 Ising Model on the Honeycomb Lattice

We study the zeros of the partition function in the complex temperature plane (Fisher zeros) and in the complex external field plane (Lee–Yang zeros) of a frustrated Ising model with competing nearest-neighbor (J1>0) and next-nearest-neighbor (J2<0) interactions on the honeycomb lattice. We consider the finite-size scaling (FSS) of the leading Fisher and Lee–Yang zeros as determined from a cumulant method and compare it to a traditional scaling analysis based on the logarithmic derivative of the magnetization ∂ln⟨|M|⟩/∂β and the magnetic susceptibility χ. While for this model both FSS approaches are subject to strong corrections to scaling induced by the frustration, their behavior is rather different, in particular as the ratio R=J2/J1 is varied. As a consequence, an analysis of the scaling of partition function zeros turns out to be a useful complement to a more traditional FSS analysis. For the cumulant method, we also study the convergence as a function of cumulant order, providing suggestions for practical implementations. The scaling of the zeros convincingly shows that the system remains in the Ising universality class for R as low as −0.22, where results from traditional FSS using the same simulation data are less conclusive. Hence, the approach provides a valuable additional tool for mapping out the phase diagram of models afflicted by strong corrections to scaling.

Spectra and Thermodynamic Properties of Zig-Zag Single – Walled Carbon Nanotube with Deng–Fan–Hulthen Potential

A theoretical investigation of the spectra and thermodynamic properties of zig-zag single-walled carbon nanotubes (6,0) is carried out within the framework of the Deng–Fan–Hulthen potential. We solved the Schr¨odinger wave equation analytically in the presence of magnetic and Aharonov–Bohm (AB) flux fields using the Nikiforov–Uvarov (NU) method and obtained the energy eigenvalues and eigenfunctions. It is observed that, in the absence of both magnetic and AB fields, there is a degeneracy in the energy spectra. The presence of the magnetic and AB flux fields led to an increase in the energy eigenvalues. The combined presence of both fields removed the degeneracy noticed in the system. We calculated the partition function and used it to evaluate the thermodynamic properties such as the mean energy, free energy, and entropy in respect to the temperature, magnetic field, AB flux field and the quantum numbers.

Some lower dimensional quantum field theories reduced from Chern-Simons gauge theories

We study symmetry reductions in the context of Euclidean Chern-Simons gauge theories to obtain lower dimensional field theories. Symmetry reduction in certain gauge theories is a common tool for obtaining explicit soliton solutions. Although pure Chern-Simons theories do not admit solitonic solutions, symmetry reduction still leads to interesting results. We establish relations at the semiclassical regime between pure Chern-Simons theories on S3 and the reduced quantum field theories, based on actions obtained by the symmetry reduction of the Chern-Simons action, spherical symmetry being the prominent one. We also discuss symmetry reductions of Chern-Simons theories on the disk, yielding a topological theory in two dimensions, which signals a curious relationship between symmetry reductions and the boundary conformal field theories. Finally, we study the Chern-Simons-Higgs instantons and show that under certain circumstances, the reduced action can formally be viewed as the action of a supersymmetric quantum mechanical model. We discuss the extent to which the reduced actions have a fermionic nature at the level of the partition function. Published by the American Physical Society 2024

The influence of continuum lowering on the equilibrium composition of plasma: Case study of laser-induced plasma on a WC-Cu target

Abstract Composition of plasma obtained by laser ablation of cermet WC-Cu is calculated under the assumption of local thermodynamical equilibrium. Special attention is paid to the effect of lowering the ionization potential, the influence of which in the Saha equations is reflected both through the exponential Boltzmann term and through the partition functions of atomic and ionic species present in the plasma. The effect on these two terms are separated and quantified. It has been shown that the correction of the partition functions due to the reduction of the ionization potential is of greater importance than the correction of Boltzmann term, at higher temperatures for atomic species. It is thus necessary for the precise determination of the plasma composition, especially at higher temperatures. The effect of lowering the ionization potential on different types of atoms as well as on different ionic states is analyzed. Тhe change of the partition function due to the lowering of ionization energy affects also the concentration of single charged ions in an amount comparable to the correction of the Boltzmann term.

Partition function approach to non-Gaussian likelihoods: macrocanonical partitions and replicating Markov-chains

Monte-Carlo techniques are standard numerical tools for exploring non-Gaussian and multivariate likelihoods. Many variants of the original Metropolis-Hastings algorithm have been proposed to increase the sampling efficiency. Motivated by Ensemble Monte Carlo we allow the number of Markov chains to vary by exchanging particles with a reservoir, controlled by a parameter analogous to a chemical potential μ, which effectively establishes a random process that samples microstates from a macrocanonical instead of a canonical ensemble. In this paper, we develop the theory of macrocanonical sampling for statistical inference on the basis of Bayesian macrocanonical partition functions, thereby bringing to light the relations between information-theoretical quantities and thermodynamic properties. Furthermore, we propose an algorithm for macrocanonical sampling, 𝙰𝚟𝚊𝚕𝚊𝚗𝚌𝚑𝚎 𝚂𝚊𝚖𝚙𝚕𝚒𝚗𝚐, and apply it to various toy problems as well as the likelihood on the cosmological parameters Ωm and w on the basis of data from the supernova distance redshift relation.

Decomposition squared

In this paper, we test and extend a proposal of Gu, Pei, and Zhang for an application of decomposition to three-dimensional theories with one-form symmetries and to quantum K theory. The theories themselves do not decompose, but, OPEs of parallel one-dimensional objects (such as Wilson lines) and dimensional reductions to two dimensions do decompose, sometimes in two independent ways. We apply this to extend conjectures for quantum K theory rings of gerbes (realized by three-dimensional gauge theories with one-form symmetries) via both orbifold partition functions and gauged linear sigma models.

Force-extension and longitudinal response of wormlike chains with single cross-link

Certain important biopolymers, such as actin filaments, are known to have cross-links at their interfaces, which significantly influence their mechanical properties. To explore these effects, the force-extension and longitudinal response of wormlike chains (WLCs) with a single cross-link under tension in two-dimension are examined using both analytical methods and Brownian dynamics simulations. The cross-link is modeled as a spring in the analytical method, and mode analysis is used to calculate the path integrals associated with the partition function. These theoretical results are then validated through Brownian dynamics simulations. Final results indicate that the simulation results are consistent with the theoretical predictions, particularly for situations involving large tensile force and short chain, which are prerequisites for the application of the weak bending approximation.

Comment on: “Analytical solutions to the Schrödinger equation for a generalized Cornell potential and its applications to diatomic molecules and heavy mesons”

We analyze a recent calculation of the energy levels of some quantum-mechanical models derived from the so-called generalized Cornell potential. We argue that the authors obtained essentially the same spectrum for potentials with considerably different spectra. We show that the authors obtained negative eigenvalues in the case of a positive-definite potential. The reason is due to the approximation used in the solution of the Schrödinger equation. We point out that the omission of the sum over the rotational degrees of freedom in the canonical partition function leads to incomplete expressions for the thermodynamic functions.

A new model describing improved bound-state and statistical properties in the framework of deformed Schrödinger equation for the improved Coshine Yukawa potential in 3D-NR(NCPS) symmetries

In this paper, within the three-dimensional non-relativistic non-commutative phase–space (3D-NR(NCPS)) symmetries, we examined the 3D deformed Schrödinger equation (3D-DSE) using the improved Coshine Yukawa potential (ICYP) model composed from Coshine Yukawa potential (CYP) ([Formula: see text]) and other terms produced from the effect of phase–space deformation ([Formula: see text] and [Formula: see text]). For this study, the 3D-DSE in the 3D-NR(NCPS) symmetry is solved and discussed with standard independent time perturbation theory and the generalized Bopp’s shifts method. For the homogeneous (H2 and N2) and heterogeneous (LiH, ScH, and HCL) diatomic molecules, it is obtained that the improved non-relativistic energy equation and eigenfunction for the ICYP in the presence of deformation phase–space are dependent on the discrete atomic quantum numbers ([Formula: see text],m), the dissociation energy [Formula: see text], the equilibrium bond length the screening parameter [Formula: see text], the deformation phase parameters ([Formula: see text]) and the deformation space parameters ([Formula: see text]). Additionally, the thermal properties of the CYP and ICYP with 3D Schrödinger equation (3D-SE) and 3D-DSE are thoroughly examined in the three-dimensional non-relativistic quantum mechanics (3D-NR(QM)) known in the literature symmetry and 3D-NR(NCPS) symmetries, including the partition function, mean energy, free energy, specific heat, and entropy. Furthermore, we discussed particular cases of thermodynamic characteristics for the ICYP model. In our study, we have shown that all the physical values related to energy and thermodynamic properties within the framework of the 3D(NR)NCPS symmetry are equal to the corresponding values within the framework of 3D-NR(QM) symmetry known in the literature, in addition to minor effects resulting from their interaction with the topological properties of the deformed phase–space. This study has multiple applications in various domains, including atomic and molecular physics.

On certain restricted partition functions

The objective of this paper is to establish explicit formulas for certain restricted partition function in terms of divisor function

Ground and Excited Electronic Structure Analysis of FeH with Correlated Wave Function Theory and Density Functional Approximations.

FeH is one of the most challenging diatomic molecules to study under electronic structure theory. Here, we have successfully studied 22 electronic states of FeH using ab initio multireference configuration interaction (MRCI), Davidson-corrected MRCI (MRCI+Q), and coupled cluster singles, doubles, and perturbative triples [CCSD(T)] levels of theory. We report their potential energy curves (PECs), excitation energies, dissociation energies, equilibrium electronic configurations, and a series of spectroscopic constants with the use of augmented triple-ζ, quadruple-ζ, and quintuple-ζ quality correlation consistent basis sets. The scalar relativistic effects and active space and core electron correlation contribution on the properties of FeH are also explored. The use of a large CASSCF active space that includes 4s, 4p, 3d, and 4d orbitals of Fe and the 1s of H is critical for producing accurate full PECs with proper dissociations and predicting the exact order of the electronic states. Our findings are in harmony with the experimental results available in the literature and will serve as reference values for future studies of FeH. Furthermore, with the use of PECs, the total internal partition function sum (TIPS) of FeH was calculated across a range of temperatures. Finally, we exploited the single-reference nature of the a6Δ of FeH and its ionized product FeH+ (X5Δ) to evaluate the associated density functional theory (DFT) errors on their dissociation energies and spectroscopic parameters.

Internal congruences modulo powers of 5, 7 and 13 for certain partition functions

Internal congruences modulo powers of 5, 7 and 13 for certain partition functions

Molecular line lists for the singlet states in gaseous YN at high temperature

ABSTRACT Our aim in this study is to investigate the electronic structure of the gaseous YN molecule and provide an accurate molecular line list of spectroscopic transitions between the five lowest singlet states. The calculations were done by using large basis set for yttrium aug-cc-pVQZ-PP with relativistic effective core potentials at the spin-free level. We first used the method of complete active space self-consistent field, which was followed by the multireference singles and doubles configuration interaction. Potential energy curves and permanent and transition dipole moments were calculated at the internuclear distance range of 1.3–2.96 Å. For each state, we calculated the spectroscopic constants (Te, ωe, ωexe, ωeye, Be, αe, Re). The calculated values of the spectroscopic constants are in excellent agreement with the experimental constants available, with a relative difference of less than 5 cm−1. We further calculated the transition intensities of allowed transitions, and we provided the absorption spectra up to a temperature of 4000 K. The computed molecular line list contains 2.6 million transitions calculated between almost 18 186 vibro-rotational energy levels. It covers the frequency range between 0 and 30 000 cm−1. The effect of temperature on the spectra of hot YN was investigated with partition functions calculated between 298 and 4000 K. This study should help in identifying the singlet state spectrum of the hot YN molecule, which is possibly found in the atmospheres of cool stars and hot rocky super-Earths.

Fisher zeroes and the fluctuations of the spectral form factor of chaotic systems

The spectral form factor of quantum chaotic systems has the familiar ‘ramp ++ plateau’ form. Techniques to determine its form in the semiclassical or the thermodynamic limit have been devised, in both cases based on the average over an energy range or an ensemble of systems. For a single instance, fluctuations are large, do not go away in the limit, and depend on the element of the ensemble itself, thus seeming to question the whole procedure. Considered as the modulus of a partition function in complex inverse temperature \beta_R+i\beta_IβR+iβI (\beta_I \equiv \tauβI≡τ the time), the spectral form factor has regions of Fisher zeroes, the analogue of Yang-Lee zeroes for the complex temperature plane. The large spikes in the spectral form factor are in fact a consequence of near-misses of the line parametrized by \beta_IβI to these zeroes. The largest spikes are indeed extensive and extremely sensitive to details, but we show that they are both exponentially rare and exponentially thin. Motivated by this, and inspired by the work of Derrida on the Random Energy Model, we study here a modified model of random energy levels in which we introduce level repulsion. We also check that the mechanism giving rise to spikes is the same in the SYK model.