Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (5): 796.

• Articles • Previous Articles     Next Articles

The Expansion Formula of Geminal N-Electron Basis Set in Terms of Slater Determinants

WANG Guo-Li, LIU Jing-Yao, SUN Chia-Chung   

  1. Institute of Theoretical Chemistry and National Key Laboratary of Computational Theoretical Chemistry, Jinlin University, Changchun, 130023
  • Received:1997-01-30 Online:1998-05-24 Published:1998-05-24

Abstract: By means of a deeper investigation of geminal N-electron basis set, the expansion formula of geminal N-electron basis set in terms of Slater determinants is obtained, in which the expansion coefficients are given explicity. As a direct result, the Hartree-Fock ab initio calculations can be taken as the starting point in the application of the geminal N-electron basis set for practical use.

Key words: Symplectic group, Geminal, N-electron basis, Slater determinant

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