Bonded-Tableau Calculation of the Potential Energy Surfaces of H3

Chem. J. Chinese Universities ›› 1992, Vol. 13 ›› Issue (3): 386.

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Bonded-Tableau Calculation of the Potential Energy Surfaces of H₃

WU Wei, ZHANG Qian-er

Department of Chemistry and Institute of Physical Chemistry, Xiamen University, Xiamen, 361005

Received:1991-06-20 Online:1992-03-24 Published:1992-03-24

Abstract

Abstract: The potential energy surfaces of H₃ are calculated by using the self-consistent field method of bonded tableaux.The programs for the bonded tableau interaction and multibonded tableau self-consistent field and the calculations for H₃ are implemented.The feature of bonded tableau method under some approximate conditions is discussed, and some suggestive conclusions for the application of valence bond method are obtained.

Key words: H₃ potential energy surface, Bonded tableau, Self-consistent field

TrendMD:

WU Wei, ZHANG Qian-er. Bonded-Tableau Calculation of the Potential Energy Surfaces of H₃[J]. Chem. J. Chinese Universities, 1992, 13(3): 386.

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Bonded-Tableau Calculation of the Potential Energy Surfaces of H₃

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