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kekemi_1127

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kekemi_1127(½ð±Ò+1):лл²ÎÓë
zhou2009(½ð±Ò+3): 2012-03-03 11:36:59
¶àÌå΢ÈÅÀíÂÛ(MP2/MP4)£¬ñîºÏ´Ø(coupled cluster)·½·¨£¬»¹ÓÐ×é̬Ï໥×÷ÓÃ(ÈçQCISD(T)µÈ)¶¼ÊǸßˮƽµÄ¼ÆË㣬¶¼½ÏºÃµØ¿¼ÂÇÁ˵ç×ÓÏà¹ØÐ§Ó¦¡£Ò»°ã·Ö×Ó¡¢ÍŴصÈСÌåϵ¿ÉÒÔ×öµ½Õâô¸ßˮƽµÄ¼ÆËã¡£
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2Â¥2012-03-03 09:11:03
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kekemi_1127

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


???????:
?: Originally posted by ???? at 2012-03-03 09:11:03:
???????????(MP2/MP4)??????(coupled cluster)???????????????????(??QCISD(T)??)?????????????????????????????§¹??????????????§³???????????????????????
??????????(DFT)? ...

CCSD ??QCISD(T)?????????MP2/MP4??????????????????????
3Â¥2012-03-03 20:05:55
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kekemi_1127(½ð±Ò+15): лл·ÖÏí 2012-03-04 15:38:42
???????:
3?: Originally posted by kekemi_1127 at 2012-03-03 20:05:55:
CCSD ??QCISD(T)?????????MP2/MP4??????????????????????

MP2/MP4?????????????????????????????????????MP2?????????????????????????????????????MP2/MP4??????????????????????????????????
?????????????????????CI?????????CC??????§¹???MP????????

[ Last edited by ???? on 2012-3-4 at 01:59 ]
4Â¥2012-03-03 22:25:12
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