Computation methods employed in the self-consistent time-dependent, Hartree-Fock calculation for a reactive molecular collision
type: Item
instance of: scholarly article
title: Computation methods employed in the self-consistent time-dependent, Hartree-Fock calculation for a reactive molecular collision
zbMATH Open document ID: 0850.65337
DOI: 10.1016/0010-4655(91)90262-J
author: D. H. Tiszauer
author: K. C. Kulander
published in: Computer Physics Communications
publication date: 1996-06-04T00:00:00Z
Mathematics Subject Classification ID: 65Z05
Mathematics Subject Classification ID: 35Q40
Mathematics Subject Classification ID: 81Q05
zbMATH DE Number: 869925
zbMATH Keywords: reactive molecular collision
zbMATH Keywords: molecular reactive scattering
zbMATH Keywords: electronic wavefunction
zbMATH Keywords: Hartree-Fock equation
zbMATH Keywords: Slater determinant
zbMATH Keywords: Poisson's equation
zbMATH Keywords: electron-electron potential
MaRDI profile type: Publication
cites work: Q3952055
cites work: Q5342712
cites work: Q4074415
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cites work: Q5722964
cites work: Q4275389
cites work: The Direct Solution of the Discrete Poisson Equation on a Rectangle
cites work: The incomplete Cholesky-conjugate gradient method for the iterative solution of systems of linear equations
description: scientific article; zbMATH DE number 869925