A perfect in phase FD algorithm for problems in quantum chemistry
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Publication:2334490
DOI10.1007/S10910-019-01061-WzbMATH Open1426.81058OpenAlexW2972790999MaRDI QIDQ2334490FDOQ2334490
Authors: Junlai Qiu, Junjie Huang, T. E. Simos 
Publication date: 7 November 2019
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-019-01061-w
hybridinitial value problemsmultisteposcillating solutionphase-lagsymmetricderivative of phase-lagSchrödinger equation
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) Applications of operator theory in chemistry and life sciences (47N60)
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Cited In (17)
- Efficient FinDiff algorithm with optimal phase properties for problems in quantum chemistry
- A new FinDiff numerical scheme with phase-lag and its derivatives equal to zero for periodic initial value problems
- 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 new implicit high-order six-step singularly P-stable method for the numerical solution of Schrödinger equation
- A complete in phase FiniteDiffrnc algorithm for DiffrntEqutins 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
- Complete in phase method for problems in chemistry
- The new class of multistep multiderivative hybrid methods for the numerical solution of chemical stiff systems of first order IVPs
- Phase-fitting, singularly P-stable, cost-effective two-step approach to solving problems in quantum chemistry with vanishing phase-lag derivatives up to order 6
- Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry
- Phase fitted method for quantum chemistry problems
- New FD methods with phase-lag and its derivatives equal to zero for periodic initial value problems
- Phase fitted algorithm for problems in quantum chemistry
- A phase fitted FiniteDiffr process for DiffrntEqutns in chemistry
- Full in phase finite difference algorithm for differential equations in quantum chemistry
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