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general contraction
释义
general contraction
Encyclopedia
理学
计算与理论化学
释
general contraction
广义收缩
在量子化学计算中收缩型基函数与原始基函数之间的一种数学关系。收缩型基函数都是由原始基函数的线性组合得到的,在同一壳层中,如果某个原始基函数对多个收缩基函数都有贡献,则称之为广义收缩;如果每个原始函数都仅对一个基函数有贡献,则称之为分段收缩。
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