A program for accurate solutions of two-electron atoms

DOI10.1016/J.CPC.2004.01.007zbMATH Open1196.81019OpenAlexW2166203634MaRDI QIDQ709667FDOQ709667

Authors: Sverker Edvardsson, Per Uddholm, Daniel Åberg 

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2004.01.007

Recommendations

• The two-electron atomic systems. S-states
• Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation
• A finite difference Hartree-Fock program for atoms and diatomic molecules
• RELCI: A program for relativistic configuration interaction calculations
• H2SOLV: Fortran solver for diatomic molecules in explicitly correlated exponential basis

zbMATH Keywords

MPIiterative methodsshared memorytwo-electron Schrödinger equation

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Software, source code, etc. for problems pertaining to quantum theory (81-04)

Cites Work

• On the eigenfunctions of many-particle systems in quantum mechanics
• Title not available (Why is that?)
• Title not available (Why is that?)
• The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

Cited In (10)

• corr3p\_tr: a particle approach for the general three-body problem
• First-order semidefinite programming for the two-electron treatment of many-electron atoms and molecules
• Finite difference approach for the two-dimensional Schrödinger equation with application to scission-neutron emission
• A routine to compute the energy and wave function for one-electron two-nuclei molecular systems
• A general spectral method for the numerical simulation of one-dimensional interacting fermions
• Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation
• A finite difference Hartree-Fock program for atoms and diatomic molecules
• Solving equations through particle dynamics
• RELCI: A program for relativistic configuration interaction calculations
• The 1958 Pekeris-Accad-WEIZAC ground-breaking collaboration that computed ground states of two-electron atoms (and its 2010 redux)

Uses Software

• corr2el

This page was built for publication: A program for accurate solutions of two-electron atoms

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q709667)