A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry

DOI10.1007/s10910-022-01352-9zbMath1498.81141OpenAlexW4281673197MaRDI QIDQ2157589

Maxim A. Medvedev, Theodore E. Simos

Publication date: 22 July 2022

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-022-01352-9

zbMATH Keywords

initial value problemsSchrödinger equationphase-lagsymmetrichybridmultistepderivative of the phase-lagoscillating solution

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Oscillation, zeros of solutions, mean value theorems, etc. in context of PDEs (35B05) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Molecular physics (81V55)

Related Items (9)

A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry ⋮ A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry ⋮ Solution of quantum chemical problems using an extremely successful and reasonably cost two-step, fourteenth-order phase-fitting approach ⋮ Solution of quantum chemical problems by a very effective and relatively inexpensive two-step, fourteenth-order, phase-fitting procedure ⋮ 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 ⋮ Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems ⋮ Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry ⋮ An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues ⋮ A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems

Uses Software

• EXPFIT4

Cites Work

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