Fully Anharmonic Resonance Raman Spectrum of Diatomic Molecules Through Numerical Solution of the Vibrational Schrodinger Equation

  • Gustavo Juliani Costa Universidade Tecnológica Federal do Paraná (UFPR)
  • Rogério Custodio Universidade Estadual de Campinas (Unicamp)
  • Pedro A. M. Vazquez Universidade Estadual de Campinas (Unicamp)
  • Luciano Nassif Vidal Universidade Tecnológica Federal do Paraná (UFPR)

Referências

1. D. A. Long, The Raman Effect; John Wiley & Sons, LTD: Chichester, (2002).

2. F. Santoro, C. Cappelli and V. Barone, J. Chem. Theory Comput., 7, 1824, (2011). F. Egidi, J. Bloino, C. Cappelli and V. Barone, J. Chem. Theory Comput., 10, 346, (2014). F. Santoro, R. Improta, A. Lami, J. Bloino, and V. Barone, J. Chem Phys., 126, 084509, (2007).

3. H. Kono, Z. Z. Ho and S. H. Lin, J. Chem. Phys. 80, 1760, (1984).

4. Dalton, a molecular electronic structure program, Release Dalton2015. (2015), see http://daltonprogram.org.

5. O. Beruski and L. N. Vidal, J. Comput. Chem., 35, 290, (2014). L. N. Vidal and P.A. M. Vazquez, Quím. Nova, 35, 2076 (2003).

6. R. Custodio, M. R. Custodio, E. J. Creatto, Quim. Nova, 35, 2076 (2014).

7. K. Huber and G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, 2nd ed., Van Nostrand Reinhold: New York, (1979).
Publicado
2015-07-01
Como Citar
Costa, G. J., Custodio, R., Vazquez, P. A. M., & Vidal, L. N. (2015). Fully Anharmonic Resonance Raman Spectrum of Diatomic Molecules Through Numerical Solution of the Vibrational Schrodinger Equation. Revista Processos Químicos, 9(18), 111-113. https://doi.org/10.19142/rpq.v9i18.270