The calculation of time-correlation functions for extended molecular systems

4Citations
Citations of this article
1Readers
Mendeley users who have this article in their library.
Get full text

Abstract

A quantal description of the response of an extended molecular system to external probes is developed in terms of collision time-correlation functions. The system is partitioned into a primary region, where localized excitations occur, and a secondary region surrounding it. A time-dependent self-consistent field procedure is followed to derive coupled quantal equations for the transition amplitudes in both regions, and a general model is introduced for cases where the secondary region undergoes harmonic motions. A numerical procedure based on path integrals, obtained for complex times by a sequence of matrix multiplications, is illustrated with calculations of cross sections for photodissociation of CH3 I. © 1990.

Cite

CITATION STYLE

APA

Micha, D. A., & Srivastava, D. (1990). The calculation of time-correlation functions for extended molecular systems. Computers and Chemistry, 14(4), 329–334. https://doi.org/10.1016/0097-8485(90)80040-9

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Save time finding and organizing research with Mendeley

Sign up for free