高等学校化学学报 ›› 1995, Vol. 16 ›› Issue (11): 1785.
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吴玮, 莫亦荣, 张乾二
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国家自然科学基金;攀登计划资助
WU Wei, MO Yi-Rong, ZHANG Qian-Er
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关键词: 价键理论, 群论, 不变式
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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吴玮, 莫亦荣, 张乾二. 价键理论的不变式方法的新算法. 高等学校化学学报, 1995, 16(11): 1785.
WU Wei, MO Yi-Rong, ZHANG Qian-Er. A New Algorithm for the Permanent Approach to Valence Bond Theory. Chem. J. Chinese Universities, 1995, 16(11): 1785.
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http://www.cjcu.jlu.edu.cn/CN/Y1995/V16/I11/1785