Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (5): 796.
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WANG Guo-Li, LIU Jing-Yao, SUN Chia-Chung
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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
CLC Number:
O641.12
TrendMD:
WANG Guo-Li, LIU Jing-Yao, SUN Chia-Chung . The Expansion Formula of Geminal N-Electron Basis Set in Terms of Slater Determinants[J]. Chem. J. Chinese Universities, 1998, 19(5): 796.
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http://www.cjcu.jlu.edu.cn/EN/Y1998/V19/I5/796