Bulletin of Pure & Applied Sciences- Physics
  • Year: 2013
  • Volume: 32d
  • Issue: 1

Electronic spectra and structure of carbon dioxide and nitrous oxide by RINDO-CI method

  • Author:
  • K. K. Karun1, G. Chandra2, B. K. Singh3
  • Total Page Count: 8
  • Page Number: 43 to 50

1Department of Physics, S. G. S. M. College, Sheikhpura (Bihar)

2Department of Physics, T. N. B. College, Bhagalpur (Bihar)

3University Department of Physics, T. M. B. University, Bhagalpur (Bihar)

Online published on 6 December, 2013.

Abstract

The electronic spectra and structure of carbon dioxide and nitrous oxide have been studied by RINDO-CI method. First the equilibrium geometries of the molecules have been calculated and these equilibrium geometries are used to predict the other properties. The calculated ground and excited state properties along with S-T splitting and Rydberg transitions are compared with experimental values. The results are in a good agreement with experimental values.

Keywords

Electronic spectra, Rydberg transition, Equilibrium geometries, RINDO-CI, Ionization potential, Excited states