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The Dirac equation for an electron in two spatial dimensions in the Coulomb and homogeneous magnetic fields is discussed. For weak magnetic fields, the approximate energy values are obtained by semiclassical method. In the case with strong…

Quantum Physics · Physics 2009-11-06 Choon-Lin Ho , V. R. Khalilov

We investigate the inclusion of variable spins in electronic structure quantum Monte Carlo, with a focus on diffusion Monte Carlo with Hamiltonians that include spin-orbit interactions. Following our previous introduction of fixed-phase…

Computational Physics · Physics 2016-07-27 Cody A. Melton , M. Chandler Bennett , Lubos Mitas

A Monte Carlo method for computing the action of a matrix exponential for a certain class of matrices on a vector is proposed. The method is based on generating random paths, which evolve through the indices of the matrix, governed by a…

Numerical Analysis · Mathematics 2019-06-19 Juan A. Acebron

The energy variance optimization algorithm over a fixed ensemble of configurations in variational Monte Carlo is formally identical to a problem of fitting data: we reexamine it from a statistical maximum-likelihood point of view. We detect…

Atomic and Molecular Clusters · Physics 2009-11-07 Dario Bressanini , Gabriele Morosi , Massimo Mella

This paper develops an efficient Monte Carlo interior penalty discontinuous Galerkin method for electromagnetic wave propagation in random media. This method is based on a multi-modes expansion of the solution to the time-harmonic random…

Numerical Analysis · Mathematics 2018-06-15 Xiaobing Feng , Junshan Lin , Cody Lorton

Here the recently proposed time-dependent quantum Monte Carlo method is applied to three dimensional para- and ortho-helium atoms subjected to an external electromagnetic field with amplitude sufficient to cause significant ionization. By…

Atomic Physics · Physics 2025-02-05 Ivan P. Christov

We develop a quantum Monte Carlo method for many fermions that allows the use of any one-particle basis. It projects out the ground state by random walks in the space of Slater determinants. An approximate approach is formulated to control…

Condensed Matter · Physics 2009-02-20 Shiwei Zhang , Henry Krakauer

We describe an aberration of the resampling estimator for the Green's function customarily used in hybridization expansion continuous-time quantum Monte Carlo. It occurs due to Pauli principle constraints in calculations of Anderson…

Strongly Correlated Electrons · Physics 2022-11-14 Andreas Hausoel , Markus Wallerberger , Josef Kaufmann , Karsten Held , Giorgio Sangiovanni

Recent high resolution Compton scattering experiments in lithium have shown significant discrepancies with conventional band theoretical results. We present a pseudopotential quantum Monte Carlo study of electron-electron and electron-ion…

Condensed Matter · Physics 2009-10-31 Claudia Filippi , David M. Ceperley

We introduce an efficient numerical implementation of a Markov Chain Monte Carlo method to sample a probability distribution on a manifold (introduced theoretically in Zappa, Holmes-Cerfon, Goodman (2018)), where the manifold is defined by…

Computation · Statistics 2023-08-22 Kerun Xu , Miranda Holmes-Cerfon

We figure out the famous Klein's paradox arising from the reflection problem when a Dirac particle encounters a step potential with infinite width. The key is to piecewise solve Dirac equation in such a way that in the region where the…

Quantum Physics · Physics 2021-01-06 Huai-Yu Wang

An variational expression for the zero temperature polaron impedance is obtained by minimizing the free energy in a generalized quadratic Feynman model. The impedance function of the quadratic model serves as the variational parameter. It…

Quantum Gases · Physics 2016-05-19 Dries Sels

The polarized distribution functions of mesons, including pion, kaon and eta, using the proton structure function, are calculated. We are looking for a relationship between the polarized distribution of mesons and the polarized structure of…

High Energy Physics - Phenomenology · Physics 2015-06-19 A. Mirjalili , K. Keshavarzian

We present an algorithm for the numerical solution of nonlinear parabolic partial differential equations. This algorithm extends the classical Feynman-Kac formula to fully nonlinear partial differential equations, by using random trees that…

Probability · Mathematics 2022-12-15 Jiang Yu Nguwi , Guillaume Penent , Nicolas Privault

Diagrammatic expansions are a central tool for treating correlated electron systems. At thermal equilibrium, they are most naturally defined within the Matsubara formalism. However, extracting any dynamic response function from a Matsubara…

Strongly Correlated Electrons · Physics 2020-02-19 Jaksa Vucicevic , Michel Ferrero

We present a quantum jump approach to describe coupled quantum and classical systems in the context of Bose-Einstein condensation in the solid state. In our formalism, the excitonic gain medium is described by classical rate equations,…

Quantum Gases · Physics 2015-06-04 Michiel Wouters

A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…

Strongly Correlated Electrons · Physics 2016-06-10 Kensaku Takai , Kota Ido , Takahiro Misawa , Youhei Yamaji , Masatoshi Imada

In Dunkl theory on $\mathbb{R}^{n}$ which generalizes classical Fourier analysis, we study the solution of the Klein-Gordon-equation defined by: \begin{eqnarray} \nonumber \partial_{t}^{2}u-\Delta_{k}u=-m^{2}u \ , \ \ \ u (x,0)=g(x) \ , \ \…

Analysis of PDEs · Mathematics 2023-05-23 Mohamed Gaidi , Mounir Bedhiafi

This topical review describes the methodology of continuum variational and diffusion quantum Monte Carlo calculations. These stochastic methods are based on many-body wave functions and are capable of achieving very high accuracy. The…

Materials Science · Physics 2010-02-11 R. J. Needs , M. D. Towler , N. D. Drummond , P. Lopez Rios

We introduce an exact Monte Carlo approach to the statistics of discrete quantum systems which does not rely on the standard fragmentation of the imaginary time, or any small parameter. The method deals with discrete objects, kinks,…

Condensed Matter · Physics 2009-10-28 N. V. Prokof'ev , B. V. Svistunov , I. S. Tupitsyn