Approximate Calculation of the Electronic States of Diatoms

  • Evgenii E. Nikitin
  • Stanislav Ya. Umanskii
Part of the Springer Series in Chemical Physics book series (CHEMICAL, volume 30)

Abstract

The evaluation of adiabatic electronic wave functions and of terms of a diatom is a typical problem in quantum chemistry. A rigorous ab initio approach commonly solves this problem by the conventional variational method with use of trial wave functions, often chosen for mathematical convenience, but having no sufficiently clear physical meaning.

Keywords

Argon Helium Dinate Rium 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1984

Authors and Affiliations

  • Evgenii E. Nikitin
    • 1
  • Stanislav Ya. Umanskii
    • 1
  1. 1.Institute of Chemical PhysicsAcademy of Sciences of the USSRMoscowUSSR

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