A finite difference method with zero phase-lag and its derivatives for quantum chemistry problems
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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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- scientific article; zbMATH DE number 52120 (Why is no real title available?)
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Cited in
(7)- Full in phase finite difference algorithm for differential equations in quantum chemistry
- 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
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