Phase fitted method for quantum chemistry problems

DOI10.1007/s10910-020-01131-4zbMath1444.81038OpenAlexW3025468112MaRDI QIDQ780333

Zhen Zhao, Chia-Liang Lin, Jun Luo, Theodore E. Simos

Publication date: 15 July 2020

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-020-01131-4

zbMATH Keywords

initial value problemsSchrödinger equationphase-lagsymmetrichybridmultistepderivative of the phase-lagoscillating solution

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Numerical solutions to equations with linear operators (65J10) Molecular physics (81V55)

Related Items (5)

A new finite difference method with optimal phase and stability properties for problems in chemistry ⋮ New FD methods with phase-lag and its derivatives equal to zero for periodic initial value problems ⋮ A new method with vanished phase-lag and its derivatives of the highest order for problems in quantum chemistry ⋮ A new FinDiff numerical scheme with phase-lag and its derivatives equal to zero for periodic initial value problems ⋮ Complete in phase method for problems in chemistry

Uses Software

• EXPFIT4
• LaTeX

Cites Work

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