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1.A coupled-cluster method
2.It includes singles and doubles fully
3.Triples are calculated non-iteratively.

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2Â¥2012-09-11 13:47:17
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2Â¥: Originally posted by liqx at 2012-09-11 13:47:17
1.A coupled-cluster method
2.It includes singles and doubles fully
3.Triples are calculated non-iteratively.

Â¥Ö÷ÎʵÄÊÇÈýÖØ¼¤·¢Ì¬triplet»¹ÊÇÕâÀïµÄtriples? triples µÄ¹±ÏײÉÓÃperturbation theory¿¼ ...

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