相关论文: Instruction of my personal computing library

A complete solution to the long standing problem of basing Schroedinger quantum theory on standard stochastic theory is given. The solution covers all "single" particle three-dimensional Schroedinger theory linear or nonlinear and with any…

Numerical physics has gained a lot of importance in the last decade, its efficiency being motivated and sustained by the growth of computational power. This paper presents a concept that is to be developed in the next few years: OpenPh.…

We present a class of confining potentials which allow one to reduce the one-dimensional Schroodinger equation to a named equation of mathematical physics, namely either Bessel's or Whittaker's differential equation. In all cases, we…

Single particle energy states as described by nuclear shell model are obtained for doubly magic nuclei using Gnumeric worksheet environment. Numerov method rephrased in matrix form is utilised to solve time-independent Schrodinger equation…

In this paper a library for spin--angular integration in LS-coupling for many-electron atoms is presented. The software is an implementation of a methodology based on the second quantization in coupled tensorial form, the angular momentum…

The limit relations for the partial derivatives of the two-electron atomic wave functions at the two-particle coalescence lines have been obtained numerically using accurate CFHHM wave functions. The asymptotic solutions of the proper…

This research is about operational- and complexity-oriented aspects of classical foundations of computability theory. The approach is to re-examine some classical theorems and constructions, but with new criteria for success that are…

We present a code modularization approach to design efficient and massively parallel cubic and linear-scaling solvers for electronic structure calculations using atomic orbitals. The modular implementation of the orbital minimization…

This is the first of a series of papers dedicated to unveil the mass composition and dynamical structure of a sample of flattened early type galaxies in the Coma cluster. We describe our modifications to the Schwarzschild code of Richstone…

In this work, we solve inverse problems of nonlinear Schr\"{o}dinger equations that can be formulated as a learning process of a special convolutional neural network. Instead of attempting to approximate functions in the inverse problems,…

A spectral integral method (IEM) for solving the two-body Schroedinger equation in configuration space is generalized to the calculation of the corresponding T-matrix. It is found that the desirable features of the IEM, such as the economy…

In this work, we apply the parametric Nikiforov-Uvarov method to obtain eigen solutions and total normalized wave function of Schr\"odinger equation express in terms of Jacobi polynomial using Coulomb plus Screened Exponential Hyperbolic…

In order to find the spectrum associated with the one-dimensional Schr\"oodinger equation, we discuss the Lagrange Mesh method (LMM) and its numerical implementation for bound states. After presenting a general overview of the theory behind…

In this work, the analytical solutions of the $D$-dimensional Schr\"odinger equation are studied in great detail for the Wood-Saxon potential by taking advantage of the Pekeris approximation. Within a novel improved scheme to surmount…

Quantum computers have the potential for an exponential speedup of classical molecular computations. However, existing algorithms have limitations; quantum phase estimation (QPE) algorithms are intractable on current hardware while…

This work introduces a new software package `Sesame' for the numerical computation of classical semiconductor equations. It supports 1 and 2-dimensional systems and provides tools to easily implement extended defects such as grain…

The method reducing the solution of the Schroedinger equation for several types of power potentials to the solution of the eigenvalue problem for the infinite system of algebraic equations is developed. The finite truncation of this system…

A long-standing aim of quantum information research is to understand what gives quantum computers their advantage. This requires separating problems that need genuinely quantum resources from those for which classical resources are enough.…

The Schr\"odinger-Coulomb Sturmian problem in $\mathbb{R}^{N}$, $N\geqslant2$, is considered in the momentum representation. An integral formula for the Gegenbauer polynomials, found recently by Cohl [arXiv:1105.2735], is used to separate…

Despite the enormous success and popularity of density-functional theory, systematic verification and validation studies are still limited in number and scope. Here, we propose a protocol to test publicly available pseudopotential…