scientific article; zbMATH DE number 4086934

MaRDI QIDQ3814679zbMATH OpenFDO

Authors

Publication date 1987

zbMATH Keywords

numerical Hartree-Fock calculations for atomsNumerov formulaquadrature formulae

Mathematics Subject Classification ID

Numerical solution of boundary value problems involving ordinary differential equations (65L10) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

Recommendations

• A generalized Numerov method for linear second-order differential equations involving a first derivative term
• Highly accurate numerical solution of Hartree-Fock equation with pseudospectral method for closed-shell atoms
• scientific article; zbMATH DE number 3848564
• Method of variation of constants for difference equations and its application to the calculation of atomic integrals
• Toward fully numerical evaluation of momentum space Hartree-Fock wave functions. Numerical experiments on the He atom

Cited in

(5)

• Highly accurate numerical solution of Hartree-Fock equation with pseudospectral method for closed-shell atoms
• Toward fully numerical evaluation of momentum space Hartree-Fock wave functions. Numerical experiments on the He atom
• A finite difference Hartree-Fock program for atoms and diatomic molecules
• Numerical methods of the preliminary evaluation of the role of admixed configurations in atomic calculations
• Ab initio molecular simulations with numeric atom-centered orbitals

This page was built for publication:

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3814679)