Time correlation function and its unifying role in molecular structure and dynamics

Authors:
  • SMS. Mahapatra
    S. Mahapatra
  • NCN. Chakrabarti
    N. Chakrabarti
  • NSN. Sathyamurthy
    N. Sathyamurthy
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Abstract
The utility of time correlation functions computed by time evolving suitably chosen wave packets to studies of bound states of molecules, quasibound states and transition state resonances in reactive systems, photoabsorption-dissociation and resonance Raman scattering in molecules is illustrated using examples from our own laboratory. The role of excited electronic states and wavefunction interference effects in influencing photoexcitation observables is examined using model systems.