MIT《计算机量子力学》教材 Lec21.pdfVIP

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  • 2026-09-17 发布于山东
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10.675LECTURE21

RICKRAJTER

1.Today

RateConstants

→TPS

→CommitorProbabilityDistribution

→TransitionPathHarvesting

→Chandler­BennetFormalismforRateConstants

→Examples

→Molden

2.TPS

ManyPathways

Findasaddlepoint,dropfromeachside

Approach

→Postulateq

→Computeprobabilitydistribution

→Ifsuccessful,computeD‡

→Ifnot,gobacktopostulatinganewq

PickanypathwaythatconnectsAtoBintimeτ.

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