Time correlation function and its unifying role in molecular structure anddynamics

Citation
S. Mahapatra et al., Time correlation function and its unifying role in molecular structure anddynamics, INT R PH CH, 18(2), 1999, pp. 235-262
Citations number
91
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
ISSN journal
0144235X → ACNP
Volume
18
Issue
2
Year of publication
1999
Pages
235 - 262
Database
ISI
SICI code
0144-235X(199904/06)18:2<235:TCFAIU>2.0.ZU;2-Q
Abstract
The utility of time correlation functions computed by time evolving suitabl y chosen wave packets to studies of bound states of molecules, quasibound s tates and transition state resonances in reactive systems, photoabsorption- dissociation and resonance Raman scattering in molecules is illustrated usi ng examples from our own laboratory. The role of excited electronic states and wavefunction interference effects in influencing photoexcitation observ ables is examined using model systems.