Theoretica chimica acta

, Volume 67, Issue 3, pp 193–197 | Cite as

Simple molecular wavefunctions with correlation corrections II

  • O. A. V. Amaral
Article

Abstract

The potential curves for the ground state of Li2 (1Σ g + ) and FH (1Σ g + ) are computed. The correlation energy is calculated using a functional of the one- and two-electron density matrices derived from an MC SCF reference wavefunction and is added to the reference energy to obtain a correlated potential curve.

Key words

Correlation energy potential energy curves molecular wavefunctions 

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Copyright information

© Springer-Verlag 1985

Authors and Affiliations

  • O. A. V. Amaral
    • 1
  1. 1.Departamento de FísicaUniversidade Federal de Goiás-Campus-2-Bloco-2-IMFGoiânia-GoiásBrasil

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