• Ramon Carbo
  • Josep M. Riera
Part of the Lecture Notes in Chemistry book series (LNC, volume 5)


We pretend here to give some results of the application of the theoretical framework to some straightforward cases. In this sense we present “ab initio” calculations on various molecular systems, as well as some examples of empirical calculations. A picture of the practical usefulness of the discussed formalism can be easily drawn from the following results which, with sufficient information, provide for the implementation and checking of future programs.


Excited State Triplet State Excited Singlet Electrostatic Molecular Potential Ground Triplet 
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Copyright information

© Springer-Verlag Berlin Heidelberg 1978

Authors and Affiliations

  • Ramon Carbo
    • 1
    • 2
  • Josep M. Riera
    • 3
  1. 1.Division of Theoretical Chemistry, Department of ChemistryUniversity of AlbertaEdmonton, AlbertaCanada
  2. 2.Departamento de Biomatematicas, Facultad de MedicinaUniversidad Autonoma de BarcelonaBellaterraSpain
  3. 3.Centro de Calculo and Seccion de Quimica Cuantica, Departamento de Quimica OrganicaInstituto Quimico de SarriaBarcelona-17Spain

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