Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (11): 1517.

• Articles • Previous Articles     Next Articles

The Self-Consistent Field Method of Bonded Tableaux

Wu Wei, Zhang Qian-er   

  1. Department of Chemistry and Institute of Physical Chemistry, Xiamen University, Xiamen, 361005
  • Received:1991-01-29 Online:1991-11-24 Published:1991-11-24

Abstract: The self-consistent field calculation for the bonded tableau unitary group approach (BTUGA) is disscused. The bonded tableau interaction(BTI) and the multi-bonded-tableau self-consistent field (MBTSCF) method are established. It is found that BTUGA can be widely applied to quantum chemistry calculation of practical molecular systems by using the self-consistent field method presented in this paper.

Key words: Valence bond state, Bonded tableau, Self-consistent field

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