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The Spinsim python package simulates spin-half and spin-one quantum mechanical systems following a time dependent Shroedinger equation. It makes use of numba.cuda, which is an LLVM (Low Level Virtual Machine) compiler for Nvidia Cuda…

Quantum Physics · Physics 2023-03-22 Alex Tritt , Joshua Morris , Joel Hochstetter , R. P. Anderson , James Saunderson , L. D. Turner

We present a new open source C library \texttt{msolve} dedicated to solving multivariate polynomial systems of dimension zero through computer algebra methods. The core algorithmic framework of \texttt{msolve} relies on Gr\''obner bases and…

Symbolic Computation · Computer Science 2021-05-20 Jérémy Berthomieu , Christian Eder , Mohab Safey El Din

The rich phenomenology of quantum many-body systems such as atomic nuclei is complex to interpret. Often, the behaviour (e.g. evolution with the number of constituents) of measurable/observable quantities such as binding or excitation…

Nuclear Theory · Physics 2024-04-30 Vittorio Somà , Thomas Duguet

Certain complex-contour (a.k.a. quantum-toboggan) generalizations of Schroedinger's bound-state problem are reviewed and studied in detail. Our key message is that the practical numerical solution of these atypical eigenvalue problems may…

Mathematical Physics · Physics 2011-02-15 Miloslav Znojil

This paper introduces torchsom, an open-source Python library that provides a reference implementation of the Self-Organizing Map (SOM) in PyTorch. This package offers three main features: (i) dimensionality reduction, (ii) clustering, and…

Machine Learning · Statistics 2025-10-14 Louis Berthier , Ahmed Shokry , Maxime Moreaud , Guillaume Ramelet , Eric Moulines

We outline a remarkably efficient method for generating solutions to quantum anharmonic oscillators with an x^{2M} potential. We solve the Schroedinger equation in terms of a free parameter which is then tuned to give the correct boundary…

Quantum Physics · Physics 2008-11-26 David Leonard , Paul Mansfield

This paper presents tensorflow-riemopt, a Python library for geometric machine learning in TensorFlow. The library provides efficient implementations of neural network layers with manifold-constrained parameters, geometric operations on…

Mathematical Software · Computer Science 2025-12-18 Oleg Smirnov

Using the Wentzel-Kramers-Brillouin method, we derive a modified form of the Thomas-Fermi approximation to electron density. This new result enables us to calculate the details of the self-consistent ion cores, as well as the ionization…

Materials Science · Physics 2009-02-23 Gregory C. Dente , Michael L. Tilton

We present the library Collier for the numerical evaluation of one-loop scalar and tensor integrals in perturbative relativistic quantum field theories. The code provides numerical results for arbitrary tensor and scalar integrals for…

High Energy Physics - Phenomenology · Physics 2017-01-04 Ansgar Denner , Stefan Dittmaier , Lars Hofer

We describe version 2 of the SPICE dataset, a collection of quantum chemistry calculations for training machine learning potentials. It expands on the original dataset by adding much more sampling of chemical space and more data on…

Chemical Physics · Physics 2024-09-17 Peter Eastman , Benjamin P. Pritchard , John D. Chodera , Thomas E. Markland

In this paper we review the calculations that are needed to obtain the bosonic and fermionic effective potential at finite temperature and volume (at one loop). The calculations at finite volume correspond to $S^1\times R^d$ topology. These…

Mathematical Physics · Physics 2009-08-28 V. K. Oikonomou

Recent advances in machine learning have facilitated numerically accurate solution of the electronic Schr\"{o}dinger equation (SE) by integrating various neural network (NN)-based wavefunction ansatzes with variational Monte Carlo methods.…

Chemical Physics · Physics 2024-12-13 Yaolong Zhang , Bin Jiang , Hua Guo

Schr\"odinger equations with nonlinearities concentrated in some regions of space are good models of various physical situations and have interesting mathematical properties. We show that in the semiclassical limit it is possible to…

Condensed Matter · Physics 2015-06-25 Giovanni Jona-Lasinio , Carlo Presilla , Johannes Sjöstrand

Loop quantum cosmology is a symmetry-reduced application of loop quantum gravity that has led to the resolution of classical singularities such as the big bang, and those at the center of black holes. This can be seen through numerical…

General Relativity and Quantum Cosmology · Physics 2020-01-08 Alec Yonika , Gaurav Khanna

This work presents a direct and highly accurate method to solve ordinary differential equations, in particular the Schr\"odinger equation in one dimension, through the direct substitution of a power series solution to obtain a purely…

Quantum Physics · Physics 2014-09-25 Fabio E. R. Campolim

We study {{\rm C}$_{60}$} with the use of Thomas-Fermi theory. A spherical shell model is invoked to treat the nuclear potential, where the nuclear and core charges are smeared out into a shell of constant surface charge density. The…

chem-ph · Physics 2009-10-28 Dennis P. Clougherty , Xiang Zhu

This paper introduces students and instructors to the use of Scilab for calculating phase shifts from phenomenological potentials in nuclear, atomic, and molecular scattering, beginning with a Riccati-type nonlinear differential equation…

Physics Education · Physics 2024-04-30 Anil Khachi

We discussed exact solutions of the Schroedinger equation for a two-dimensional parabolic confinement potential in a homogeneous external magnetic field. It turns out that the two-electron system is exactly solvable in the sense, that the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Manfred Taut , Helmut Eschrig

We study the complexity of approximating the smallest eigenvalue of a univariate Sturm-Liouville problem on a quantum computer. This general problem includes the special case of solving a one-dimensional Schroedinger equation with a given…

Quantum Physics · Physics 2007-05-23 Arvid J. Bessen

Self-gravity plays an important role in the evolution of rotationally supported systems such as protoplanetary disks, accretion disks around black holes, or galactic disks, as it can both feed turbulence or lead to gravitational…

Earth and Planetary Astrophysics · Physics 2023-09-28 Oliver Zier , Volker Springel