Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (11): 1785.
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WU Wei, MO Yi-Rong, ZHANG Qian-Er
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Abstract: Based on Ryser permanent expansion method, a new algorithm for the so-called permanent approach to valence bond theory is presented. With the new algorithm, Hamiltonian and overlap matrice elements are calculated directly, rather than by the"sequential"Laplace expansion method used in our previous work. The algorithm will be more easily implemented than that based on Laplace expansion method.
Key words: Valence bond theory, Group theory, Permanent
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WU Wei, MO Yi-Rong, ZHANG Qian-Er. A New Algorithm for the Permanent Approach to Valence Bond Theory[J]. Chem. J. Chinese Universities, 1995, 16(11): 1785.
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http://www.cjcu.jlu.edu.cn/EN/Y1995/V16/I11/1785