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

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)

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

Cites work

• scientific article; zbMATH DE number 3130885 (Why is no real title available?)
• scientific article; zbMATH DE number 3021634 (Why is no real title available?)
• On the eigenfunctions of many-particle systems in quantum mechanics
• The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

Cited in

(12)

• Solving equations through particle dynamics
• H2SOLV: Fortran solver for diatomic molecules in explicitly correlated exponential basis
• POLALMM: a program to compute polarizabilities for nominal one-electron systems using the Lagrange-mesh method
• Finite difference approach for the two-dimensional Schrödinger equation with application to scission-neutron emission
• Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation
• First-order semidefinite programming for the two-electron treatment of many-electron atoms and molecules
• 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)
• A routine to compute the energy and wave function for one-electron two-nuclei molecular systems
• corr3p\_tr: a particle approach for the general three-body problem
• A general spectral method for the numerical simulation of one-dimensional interacting fermions
• A finite difference Hartree-Fock program for atoms and diatomic molecules

Describes a project that uses

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)