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价键自洽场方法
释义
价键自洽场方法
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理学
计算与理论化学
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valence bond self-consistent field(VBSCF)method
价键自洽场方法
对价键结构系数和轨道展开系数同时优化以获得最小的体系总能量的理论。被誉为第一个现代价键理论方法,由G.G.巴林特-库尔蒂[注]和J.H.van伦特[注]提出。
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