Towards multirence equivalents of the G2 and G3 methods

Theis I. Solling; David M. Smith; Leo Radom

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Towards multirence equivalents of the G2 and G3 methods

机译：迈向G2和G3方法的多价等价物

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The effect of replacing the standard single-determinant reference wave functons in variants of G2 and G3 theory by multireference (MR) wave functions based on a full-valence complete active space has been investigated.

机译：研究了基于全价完全活动空间的多参考（MR）波函数替换G2和G3理论变体中的标准单行参考波函数的效果。

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《The Journal of Chemical Physics》 |2001年第19期|共15页
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Theis I. Solling; David M. Smith; Leo Radom;
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机译：迈向G2和G3方法的多引用等效项

Towards multirence equivalents of the G2 and G3 methods

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