相关论文: Instruction of my personal computing library

Single-particle resonance parameters and wave functions in spherical and deformed nuclei are determined through analytic continuation in the potential strength. In this method, the analyticity of the eigenvalues and eigenfunctions of the…

In this technical paper we introduce the Tensor Network Theory (TNT) library -- an open-source software project aimed at providing a platform for rapidly developing robust, easy to use and highly optimised code for TNT calculations. The…

In a recent work [C. Chevalier, B. M. Wong, Comput. Phys. Commun. ${\bf 274}$, 108299 (2022); arXiv: 2203.05233 [cond-mat.mes-hall]] the interesting and popular problem was considered. Authors attempted to solve the self-consistent…

Norm-conserving pseudopotentials are used by a significant number of electronic-structure packages, but the practical differences among codes in the handling of the associated data hinder their interoperability and make it difficult to…

Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure…

In this work, we introduce PHOENIX, a highly optimized explicit open-source solver for two-dimensional nonlinear Schr\"odinger equations with extensions. The nonlinear Schr\"odinger equation and its extensions (Gross-Pitaevskii equation)…

We present a two-dimensional classical stochastic differential equation for a displacement field of a point particle in two dimensions and show that its components define real and imaginary parts of a complex field satisfying the…

The authors present SHarmonic, a new implementation of the spherical harmonics targeted for electronic-structure calculations. Their approach is to use explicit formulas for the harmonics written in terms of normalized Cartesian…

In the book the mathematical methods of nuclear cross sections and phases of elastic scattering, energy and characteristics of bound states in two- and three-particle nuclear systems, when the potentials of interaction contain not only…

We present a computer program which solves the Schrodinger equation of the stationary states for an average nuclear potential of Woods-Saxon type. In this work, we take specifically into account triaxial (i.e. ellipsoidal) nuclear surfaces.…

The Schroedinger equation is solved for an A-nucleon system using an expansion of the wave function in nonsymmetrized hyperspherical harmonics. Our approach is both an extension and a modification of the formalism developed by Gattobigio et…

Using Mathematica 3.0, the Schroedinger equation for bound states is solved. The method of solution is based on a numerical integration procedure together with convexity arguments and the nodal theorem for wave functions. The interaction…

The theory of stochastic processes impacts both physical and social sciences. At the molecular scale, stochastic dynamics is ubiquitous because of thermal fluctuations. The Fokker-Plank-Smoluchowski equation models the time evolution of the…

This paper describes a modular framework for the description of electroweak scattering and decay processes, including but not limited to Z-resonance physics. The framework consistently combines a complex-pole expansion near a s-channel…

A revision of the recursive method proposed by S.A. Shakir [Am. J.Phys. \textbf{52}, 845 (1984)] to solve bound eigenvalues of the Schr\"odinger equation is presented. Equations are further simplified and generalized for computing wave…

A solver for the Poisson equation for 1D, 2D and 3D regular grids is presented. The solver applies the convolution theorem in order to efficiently solve the Poisson equation in spectral space over a rectangular computational domain.…

In the paper the Schr\"odinger equation for quasibound resonance state with complex energy is considered. The system of inhomogeneous differential equations is obtained for the real and imaginary parts of wave function. On the base of known…

The simulation of strongly correlated many-electron systems is one of the most promising applications for near-term quantum devices. Here we use a class of eigenvalue solvers (presented in Phys. Rev. Lett. 126, 070504 (2021)) in which a…

In the study of model electronic device systems where electrons are typically under confinement, a key obstacle is the need to iteratively solve the coupled Schr\"{o}dinger-Poisson (SP) equation. It is possible to bypass this obstacle by…

For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…