A new algorithm with eliminated phase-lag and its derivatives up to order five for problems in quantum chemistry

DOI10.1007/s10910-020-01164-9zbMath1467.65069OpenAlexW3090259648MaRDI QIDQ830917

Zenggui Wang, Theodore E. Simos

Publication date: 10 May 2021

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

Full work available at URL: https://doi.org/10.1007/s10910-020-01164-9

zbMATH Keywords

initial value problemsSchrödinger equationsymmetricderivative of the phase-lagoscillating solutionmultistep step

Mathematics Subject Classification ID

Numerical methods for initial value problems involving ordinary differential equations (65L05)

Related Items (2)

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

Uses Software

• EXPFIT4
• LaTeX

Cites Work

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