A finite difference method with zero phase-lag and its derivatives for quantum chemistry problems
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Publication:2201026
DOI10.1007/S10910-020-01150-1zbMATH Open1448.81315OpenAlexW3046732271MaRDI QIDQ2201026FDOQ2201026
Authors: Zenggui Wang, T. E. Simos 
Publication date: 24 September 2020
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-020-01150-1
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hybridinitial value problemsderivative of the phase-lagmultisteposcillating solutionphase-lagsymmetricSchrödinger equation
Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Initial value problems for linear higher-order PDEs (35G10)
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Cited In (7)
- Efficient FinDiff algorithm with optimal phase properties for problems in quantum chemistry
- A new algorithm with eliminated phase-lag and its derivatives up to order five for problems in quantum chemistry
- New FD scheme with vanished phase-lag and its derivatives up to order six for problems in chemistry
- A finite difference method with phase-lag and its derivatives equal to zero for problems in chemistry
- A new economical method with eliminated phase-lag and its derivative for problems in chemistry
- Two-step method with vanished phase-lag and its derivatives for problems in quantum chemistry: an economical case
- Full in phase finite difference algorithm for differential equations in quantum chemistry
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