A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry

DOI10.1007/s10910-022-01373-4zbMath1500.81029OpenAlexW4285044127MaRDI QIDQ2160357

Chia-Liang Lin, Theodore E. Simos

Publication date: 3 August 2022

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

Full work available at URL: https://doi.org/10.1007/s10910-022-01373-4

zbMATH Keywords

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

Mathematics Subject Classification ID

PDEs in connection with biology, chemistry and other natural sciences (35Q92) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Oscillation, zeros of solutions, mean value theorems, etc. in context of PDEs (35B05) Numerical aspects of the method of characteristics for initial value and initial-boundary value problems involving PDEs (65M25)

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Uses Software

• EXPFIT4
• LaTeX

Cites Work

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