A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry

DOI10.1007/s10910-021-01284-wzbMath1484.81033OpenAlexW3205113451MaRDI QIDQ2072212

Maxim A. Medvedev, Theodore E. Simos

Publication date: 26 January 2022

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

Full work available at URL: https://doi.org/10.1007/s10910-021-01284-w

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 methods for initial value problems involving ordinary differential equations (65L05) Molecular physics (81V55)

Related Items (1)

Solution to quantum chemistry problems using a phase-fitting, singularly P-stable, cost-effective two-step approach with disappearing phase-lag derivatives up to order 5

Uses Software

• EXPFIT4
• LaTeX

Cites Work

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