Evaluation of thermal rate constants in the eigenbasis of a Hamiltonian with an optical potential
- 15 October 1992
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 97 (8) , 5465-5471
- https://doi.org/10.1063/1.463805
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Reflection and transmission of waves by a complex potential—a semiclassical Jeffreys–Wentzel–Kramers–Brillouin treatmentThe Journal of Chemical Physics, 1992
- Analysis of a complex absorbing barrierMolecular Physics, 1991
- A new accurate (time-independent) method for treating reactive collisions: conversion of a scattering problem into a bound problemJournal of the Chemical Society, Faraday Transactions, 1990
- Efficient pointwise representations for vibrational wave functions: Eigenfunctions of H+3The Journal of Chemical Physics, 1989
- Localized representations for large amplitude molecular vibrationsComputer Physics Communications, 1988
- Quantum flux operators and thermal rate constant: Collinear H+H2The Journal of Chemical Physics, 1988
- The calculation of the thermal rate coefficient by a method combining classical and quantum mechanicsThe Journal of Chemical Physics, 1988
- Direct computation of quantal rate constants: Recursive development of the flux autocorrelation functionChemical Physics Letters, 1985
- Functional representation of Liu and Siegbahn’s accurate a b i n i t i o potential energy calculations for H+H2The Journal of Chemical Physics, 1978
- Quantum mechanical transition state theory and a new semiclassical model for reaction rate constantsThe Journal of Chemical Physics, 1974