±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1144  |  »Ø¸´: 8
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

scq2010

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿Çó½Ì gaussian ccsd (T)¼ÆËã³ö´íÐÅÏ¢

gaussian ccsd (T)¼ÆËã³ö´íÐÅÏ¢
Largest amplitude= 7.89D-01
Error termination via Lnk1e in d:\gaussian\l913.exe at Thu Oct 01 15:39:16 2009.
ÇëÎÊÊÇÄĶùµÄÎÊÌ⣬Çë¸ßÊÖÖ¸µã£¬²»Ê¤¸Ð¼¤£¡
»Ø¸´´ËÂ¥
ÎÒÆ½³£ºÜæ¡£
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

scq2010

½ð³æ (ÕýʽдÊÖ)

лл¸÷룬ÎÊÌâÒѽâ¾ö£¬Ö÷ÒªÊǵü´ú´ÎÊý²»¹»¡£
ÎÒÆ½³£ºÜæ¡£
9Â¥2009-10-04 21:47:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

hairan

ľ³æ (ÖøÃûдÊÖ)

î§Ë¯Ä¾³æ

¡ï ¡ï
yjcmwgk(½ð±Ò+1,VIP+0): 10-2 22:11
scq2010(½ð±Ò+1,VIP+0): 10-4 21:47
´Ó³ö´íʱºòµÄ½ø¶È¿ÉÒÔ¿´³öCC¼ÆËãµÄSºÍD²¿·Ö¶¼ËãÍêÁË£¬ÊǼÆËãTµÄʱºò³öµÄ´í
¿ÉÄܵÄÔ­ÒòÈçÏ£¬¸ù¾Ý×Ô¼ºµÄÇé¿öÀ´Åжϣº
1¡¢¶¨ÒåµÄÄÚ´æÌ«Ð¡
2¡¢¶¨ÒåµÄ¿ÉÓÃÓ²ÅÌ̫С£¨32λ°æ±¾£©»òÕßÓ²Å̱»Ð´ÂúÁË£¨64λ°æ±¾£©
¾ÝȨÍþ±¨Ö½µ÷²é£¬84%µÄÇàÉÙÄê·¸×ïÕßÓÐÍæµç×ÓÓÎÏ·µÄ¾­Àú£¬¹ÊÓ¦¸Ã½ûÖ¹¾­Óªµç×ÓÓÎÏ·¡£¾ÝÎÒÃÇËùÖª£¬100%µÄÇàÉÙÄê·¸×ïÕßÓд©Ð¬µÄ¾­Àú£¬¹ÊÖÆÐ¬³§Ó¦¸ÃÍ£Òµ¡£
2Â¥2009-10-02 15:21:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zxyan

ÖÁ×ðľ³æ (ÎÄ̳¾«Ó¢)

¡ï ¡ï
scq2010(½ð±Ò+1,VIP+0): 10-4 21:47
scq2010(½ð±Ò+1,VIP+0): 10-4 21:49
½¨ÒéÔÚÊäÈ뿨µÄµÚÒ»ÐÐÌí¼ÓÐéÄâÄڴ棬»òÐí¿ÉÒÔ¼ÆËã¡£
3Â¥2009-10-03 08:41:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

loovfnd

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by zxyan at 2009-10-3 08:41:
½¨ÒéÔÚÊäÈ뿨µÄµÚÒ»ÐÐÌí¼ÓÐéÄâÄڴ棬»òÐí¿ÉÒÔ¼ÆËã¡£

ÐéÄâÄÚ´æÒªÔõô¼Ó£¡
ĪǿÇó£¡
4Â¥2009-10-03 14:59:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 347²ÄÁÏר˶Çóµ÷¼Á +7 zj8215216 2026-04-06 7/350 2026-04-06 21:57 by dongzh2009
[¿¼ÑÐ] 266·Ö£¬Ò»Ö¾Ô¸µçÆø¹¤³Ì£¬±¾¿Æ²ÄÁÏ£¬Çó²ÄÁÏרҵµ÷¼Á +9 ÍÛºôºßºôºß 2026-04-02 10/500 2026-04-06 19:47 by jean5056
[¿¼ÑÐ] 326Çóµ÷¼Á +3 ¹ËÈô¸¡Éú 2026-04-05 3/150 2026-04-05 18:32 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +12 19123253302 2026-04-04 12/600 2026-04-05 08:08 by 544594351
[¿¼ÑÐ] 311·Ö 22408 Çóµ÷¼Á +3 bing_bot 2026-04-03 3/150 2026-04-05 00:43 by chongya
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤306·ÖÕÒµ÷¼Á +23 ²×º£ÇáÖÛe 2026-04-02 27/1350 2026-04-04 21:52 by laoshidan
[¿¼ÑÐ] 321Çóµ÷¼Á +13 ÈÏÕæÇóÉÏѧ 2026-04-02 13/650 2026-04-04 18:23 by macy2011
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +4 ÍÃͻͻͻ£¬ 2026-03-31 4/200 2026-04-04 13:34 by 1753564080
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ²ÄÁϹ¤³Ì085601£¬Çóµ÷¼Á +17 cdyw 2026-04-02 18/900 2026-04-04 11:14 by w_xuqing
[¿¼ÑÐ] ÇóÉúÎïѧרҵµ÷¼Á-332·Ö +5 ÔÆ¶äåÞÍäÖ¸ÄÏ 2026-04-04 5/250 2026-04-04 10:05 by rzh123456
[¿¼ÑÐ] ×Ü·Ö328ÉúÎïÓëÒ½Ò©¿¼ÊýѧÇóµ÷¼Á +7 aaadim 2026-04-02 9/450 2026-04-03 22:53 by syh9288
[¿¼ÑÐ] 336Çóµ÷¼Á +8 kiyy 2026-04-01 8/400 2026-04-03 19:41 by lijunpoly
[¿¼ÑÐ] 301Çóµ÷¼Á +14 A_JiXing 2026-04-01 14/700 2026-04-03 18:31 by lsÁõ˧
[¿¼ÑÐ] 366Çóµ÷¼ÁÒ»Ö¾Ô¸¶«±±´óѧ +8 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 8/400 2026-04-02 21:39 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á 302·Ö³õÊÔ 0854 +5 Áæ¿ÉÀÖ 2026-04-02 5/250 2026-04-02 17:53 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] 346Çóµ÷¼Á +5 Ö£³ÏÀÖ 2026-04-02 5/250 2026-04-02 16:38 by SZW_UJN
[¿¼ÑÐ] 310·ÖÇóµ÷¼Á +4 ³É¹¦Éϰ¶wang 2026-04-01 4/200 2026-04-01 20:35 by liu823948201
[¿¼ÑÐ] 08¹¤¿Æ275Çóµ÷¼Á£¬¿É¿ç¿¼¡£ +5 AaAa7420 2026-03-31 5/250 2026-04-01 15:21 by 159357hjz
[¿¼ÑÐ] 340Çóµ÷¼Á +4 Ï£ÍûÈç´Ëi 2026-03-31 4/200 2026-03-31 16:40 by 690616278
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û