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A Low-Cost, Two-Step Fourteenth-Order Phase-Fitting Approach to Tackling Problems in Chemistry

Journal of mathematical chemistry(2024)

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摘要
The phase-lag and all of its derivatives (first, second, third, fourth, fifth, and sixth) might be eliminated using a phase-fitting technique. The new approach, which is referred to as the economical method, targets maximizing algebraic order (AOR) and reducing function evaluations (FEvs). The one-of-a-kind approach is demonstrated by Equation PF6DPFN142SPS.The proposed method is infinitely periodic i.e. P-Stable. To many periodic and/or oscillatory problems, the suggested strategy can be applied. Using this innovative method, the difficult issue of Schrödinger-type coupled differential equations was tackled in quantum chemistry. Every step of the new approach only requires 5FEvs to execute, making it a economic algorithm. By accomplishing a AOR of 14, this allows us to greatly enhance our current situation.
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关键词
Phase-lag,Derivative of the phase-lag,Initial value problems,Oscillating solution,Symmetric,Hybrid,Multistep,Schrödinger equation,65L05
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