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/S10910-021-01263-1zbMATH Open1476.81166OpenAlexW3183807515MaRDI QIDQ2230702FDOQ2230702
Authors: Maxim A. Medvedev, T. 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
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hybridinitial value problemsderivative of the phase-lagmultisteposcillating solutionphase-lagsymmetricSchrödinger equation
Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Numerical methods for initial value problems involving ordinary differential equations (65L05) Chemistry (general) in thermodynamics and heat transfer (80A50)
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Cited In (7)
- A new method with vanished phase-lag and its derivatives of the highest order for problems in quantum chemistry
- A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry
- A finite difference method with zero phase-lag and its derivatives for quantum chemistry problems
- A new economical method with eliminated phase-lag and its derivative for problems in chemistry
- An economical two-step method with improved phase and stability properties for problems in chemistry
- An economical two-step method with optimal phase and stability properties for problems in chemistry
- A new improved economical finite difference method for problems in quantum chemistry
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