Ab initio calculations of vibronic spectra and dynamics for small polyatomic molecules: Role of Duschinsky effect Article

Mebel, AM, Hayashi, M, Liang, KK et al. (1999). Ab initio calculations of vibronic spectra and dynamics for small polyatomic molecules: Role of Duschinsky effect . 103(50), 10674-10690. 10.1021/jp992429m



keywords

  • 2ND-ORDER PERTURBATION-THEORY
  • 3-DIMENSIONAL ANALYTICAL MODEL
  • CONFIGURATION-INTERACTION
  • Chemistry
  • Chemistry, Physical
  • DENSITY-FUNCTIONAL THERMOCHEMISTRY
  • EXCITED ELECTRONIC STATES
  • FLUORESCENCE-SPECTRA
  • FRANCK-CONDON FACTORS
  • INTENSITY DISTRIBUTION
  • PHOTODISSOCIATION DYNAMICS
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • Science & Technology
  • VIBRATIONAL STRUCTURE

Digital Object Identifier (DOI)

start page

  • 10674

end page

  • 10690

volume

  • 103

issue

  • 50