Computation methods employed in the self-consistent time-dependent, Hartree-Fock calculation for a reactive molecular collision

DOI10.1016/0010-4655(91)90262-JzbMath0850.65337MaRDI QIDQ1911710

K. C. Kulander, D. H. Tiszauer

Publication date: 4 June 1996

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

zbMATH Keywords

Poisson's equationHartree-Fock equationSlater determinantelectron-electron potentialelectronic wavefunctionmolecular reactive scatteringreactive molecular collision

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) PDEs in connection with quantum mechanics (35Q40) Applications to the sciences (65Z05)

Related Items (2)

Lattice Boltzmann equation for quantum mechanics ⋮ Effective potentials for time-dependent calculations of multiphoton processes in atoms

Cites Work

• The incomplete Cholesky-conjugate gradient method for the iterative solution of systems of linear equations
• The Direct Solution of the Discrete Poisson Equation on a Rectangle
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