Two-step method with vanished phase-lag and its derivatives for problems in quantum chemistry: an economical case
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Publication:2230702
DOI10.1007/s10910-021-01263-1zbMath1476.81166OpenAlexW3183807515MaRDI QIDQ2230702
Maxim A. Medvedev, Theodore E. Simos
Publication date: 28 September 2021
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-021-01263-1
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 methods for initial value problems involving ordinary differential equations (65L05) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Molecular physics (81V55) Chemistry (general) in thermodynamics and heat transfer (80A50)
Related Items (2)
An economical two-step method with optimal phase and stability properties for problems in chemistry ⋮ A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry
Uses Software
Cites Work
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