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3Â¥: Originally posted by agent99 at 2013-07-25 02:48:36
Combination of the Becke exchange functional (B) and the LYP correlation functional.

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4Â¥2013-07-25 09:57:58
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gkf¸ß: ½ð±Ò+2 2013-07-25 01:46:25
¿ÆÑ§µº: ½ð±Ò+10, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ 2013-07-25 09:56:47
Õâ¸ö·ºº¯µÄÃû×Ö¾ÍÊÇBLYP£¬À´×ÔÓÚËÄλ¿ÆÑ§¼ÒµÄÐÕÃûËõд:
Becke(Axel D. Becke) for the exchange part and Lee(Chengteh Lee), Yang(Weitao Yang) and Parr(Robert G. Parr) for the correlation part.
һȺ×ÔÒÔΪÕýÒåÁÝÈ»µÄÄêÇáÈ˽«Ò»Çв»ÄÜÒÔ¿ÆÑ§½âÊ͵ÄÊÂÇ鶨ÐÔΪ·â½¨ÃÔÐŲ¢´óµ¶À«¸«µØ½øÐÐÏûÃð£¬ÆäʵÕâÊÇÐÞÑø²»×ãѧʶdz±¡µÄÒ»ÖÖÌåÏÖ£¬Ò²ÊǿɶñµÄƫִºÍÓÞ´ÀµÄ×ÔÒÔ
2Â¥2013-07-25 00:45:16
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agent99

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Combination of the Becke exchange functional (B) and the LYP correlation functional.

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3Â¥2013-07-25 02:48:36
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