A finite difference method with phase-lag and its derivatives equal to zero for problems in chemistry
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Publication:2201045
DOI10.1007/s10910-020-01161-yzbMath1448.65076OpenAlexW3047820812MaRDI QIDQ2201045
Maxim A. Medvedev, Theodore E. Simos
Publication date: 24 September 2020
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-020-01161-y
initial value problemsSchrödinger equationphase-lagderivative of the phase-lagoscillating solutionmultistep method
Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.) (34L40) Numerical methods for initial value problems involving ordinary differential equations (65L05) Numerical solution of boundary value problems involving ordinary differential equations (65L10)
Related Items (3)
Efficient FinDiff algorithm with optimal phase properties for problems in quantum chemistry ⋮ New FD scheme with vanished phase-lag and its derivatives up to order six for problems in chemistry ⋮ A new algorithm with eliminated phase-lag and its derivatives up to order five for problems in quantum chemistry
Uses Software
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