耦合簇
二次方程
激发
计算化学
振幅
星团(航天器)
化学
物理
数学
分子
量子力学
计算机科学
几何学
程序设计语言
作者
Gustavo E. Scuseria,Henry F. Schaefer
摘要
It is shown that the recently proposed QCI method including all single and double substitutions has essentially the same computational requirements as the more complete CCSD approach. If properly formulated, the CCSD equations contain at most quadratic terms in the excitation amplitudes.
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