Phase fitted algorithm for problems in quantum chemistry
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Publication:2201016
DOI10.1007/S10910-020-01142-1zbMATH Open1448.81484OpenAlexW3035910771MaRDI QIDQ2201016FDOQ2201016
Marina A. Medvedeva, 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/s10910-020-01142-1
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hybridinitial value problemsderivative of the phase-lagmultisteposcillating solutionphase-lagsymmetricSchrödinger equation
Oscillation, zeros of solutions, mean value theorems, etc. in context of PDEs (35B05) 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 (8)
- 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 zero phase-lag and its derivatives for quantum chemistry problems
- A finite difference method with phase-lag and its derivatives equal to zero for problems in chemistry
- A new four-stages two-step phase fitted scheme for problems in quantum chemistry
- Hilbert-Schmidt approximation problems arising in quantum chemistry
- Full in phase finite difference algorithm for differential equations in quantum chemistry
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