Phase fitted method for quantum chemistry problems
From MaRDI portal
Publication:780333
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
initial value problemsSchrödinger equationphase-lagsymmetrichybridmultistepderivative of the phase-lagoscillating solution
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)
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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
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Cites Work
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