Znn3bq.jpeg
²é¿´: 1106  |  »Ø¸´: 16
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

hongsemenghuan

ľ³æ (ÖøÃûдÊÖ)

[ÇóÖú] ¹ØÓÚµ¥Ïß̬˫×ÔÓÉ»ùµÄ×ÔÐýÎÛȾÎÊÌâ

ÎÒÓÃDFTÓÅ»¯ÕÒµ½ÖмäÌåºÍ¹ý¶É̬£¬È»ºóÓÃCCSD£¨t)×öµ¥µã¼ÆË㣬·¢ÏÖS^2´Ó1.5¼¸Ôö¼Óµ½ÁË4.1¼¸¡£Õâ¸ö½á¹û¶ÔÂ𣿿ÉÐÅÂð£¿ÎªÊ²Ã´»áÔö¼ÓÄØ£¿ÓÃCCSD£¨t£©±¾ÏëÊÇÏû³ý×ÔÐýÎÛȾµÄ£¬Ôõô·´¶øÔö¼ÓÁËÄØ£¿ÎÒ¸ÃÔõô½â¾öÄØ£¿¼±ÐèÄúµÄ°ïÖú£¬Ð»Ð»ÏÈ£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hongsemenghuan

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
6Â¥: Originally posted by kong890109 at 2015-06-18 08:41:03
×ÔÐýÎÛȾͨ³£ÔÚ·ÇÏÞÖÆµÄ Hartree-Fock (UHF)ºÍ·ÖÏÞÖÆÐÔµÄMøller-Plesset (UMP2, UMP3, UMP4) ¼ÆËãÖгöÏÖ¡£ÔÚDFT¼ÆËãÖкÜÉٻᷢÏÖÏÔÖøµÄ×ÔÐýÎÛȾ£¬ÉõÖÁÔÚ²ÉÓ÷ÇÏÞÖÆÐÔµÄKohn-Sham ¹ìµÀµÄÇé¿ö¡£

±¾Ï룬ÓÃCCSD£¨t£©ÐÞÕýºó×ÔÑ¡ÎÛȾ»á¸üСµã£¬Ôõô¾ÍÔö´óÁËÄØ£¿CCSD£¨t£©·½·¨²»¶ÔÂð£¿
7Â¥2015-06-18 20:07:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 17 ¸ö»Ø´ð

hongsemenghuan

ľ³æ (ÖøÃûдÊÖ)

ÔõôûÈ˰¡£¬¶¥¶¥¡­¡­
2Â¥2015-06-17 18:36:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

kong890109

½ð³æ (СÓÐÃûÆø)

ÊDz»ÊǸß×ÔÐý̬µÄ¸üÎȶ¨ÄØ£¿
3Â¥2015-06-17 19:13:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hongsemenghuan

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by kong890109 at 2015-06-17 19:13:57
ÊDz»ÊǸß×ÔÐý̬µÄ¸üÎȶ¨ÄØ£¿

ÄѵÀ»¹Òª¼ÆËãÏÂ5ÖØÌ¬Âð£¿
4Â¥2015-06-18 08:12:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó²ÄÁÏÓ뻯¹¤£¬353·Ö»¹Óе÷¼ÁѧУÂð +5 ·ñ¼«Ì©À´2026 2026-04-15 6/300 2026-04-16 09:43 by ѧԱJpLReM
[¿¼ÑÐ] 307ÖÐÒ½¿¼Ñе÷¼Á +4 ÓÚÒÔ²ÉÞÀ 2026-04-14 4/200 2026-04-15 19:14 by ANÁ÷800
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +21 »ý¼«ÏòÉÏ£» 2026-04-10 23/1150 2026-04-15 12:50 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] È˹¤ÖÇÄÜ320µ÷¼Á08¹¤À໹Óлú»áÂð +18 Õñ¡ªTZ 2026-04-10 19/950 2026-04-14 10:34 by screening
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] ²ÄÁϸ´ÊÔÇóµ÷¼Á +24 xhhdjdjsjks 2026-04-09 24/1200 2026-04-13 15:49 by ÐÒÃâ ..
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¹¤085600 331·Ö +7 ÌìÏÂww 2026-04-09 7/350 2026-04-13 09:01 by lhj2009
[¿¼ÑÐ] 339Çóµ÷¼Á +8 hanwudada 2026-04-11 9/450 2026-04-12 15:36 by laoshidan
[ÕÒ¹¤×÷] ɽ¶«¸ßУ½Ìʦ¿¼ºË³¬¼¶ÎÞµ×Ïߣ¬Ô±¹¤¹ý²»ÏÂÈ¥À² +4 qut2026 2026-04-09 9/450 2026-04-12 00:54 by qut2026
[¿¼ÑÐ] 331Çóµ÷¼Á +5 Íõ¹ú˧ 2026-04-11 5/250 2026-04-11 22:56 by Ϫ½§Á÷Ë®
[¿¼ÑÐ] 087100³õÊÔ311Çóµ÷¼Á +4 ÈÎÑÅÇÙ 2026-04-09 4/200 2026-04-11 10:33 by zhq0425
[¿¼ÑÐ] ¹¤¿Æ273µ÷¼Á +6 X1999 2026-04-09 7/350 2026-04-11 10:23 by zhq0425
[¿¼ÑÐ] ¹ã¶«Ê¡ 085601 329·ÖÇóµ÷¼Á +14 Eddieddd 2026-04-10 14/700 2026-04-11 09:58 by bljnqdcc
[¿¼ÑÐ] 342µç×ÓÐÅϢר˶Çóµ÷¼Á +9 ÄãÈÃÎÒÔõôÀóÖ¦ 2026-04-10 10/500 2026-04-11 08:33 by zhq0425
[¿¼ÑÐ] 309Çóµ÷¼Á +14 wdhw 2026-04-10 15/750 2026-04-10 21:06 by zhouxiaoyu
[¿¼ÑÐ] 263ÄÜÔ´¶¯Á¦×¨Ë¶Çóµ÷¼Á +4 ¼Ó´óºÅ·¹ºÐ´ü 2026-04-10 4/200 2026-04-10 20:52 by gong120082
[¿¼ÑÐ] ¼ÆËã»úÀàÇóµ÷¼Á£¬22408-274·Ö +7 Éϰ¶deС³æ 2026-04-09 8/400 2026-04-10 19:56 by fxue1114
[¿¼ÑÐ] 301Çóµ÷¼Á +5 149. 2026-04-10 5/250 2026-04-10 15:45 by ²ñС°×
[¿¼ÑÐ] 314Çóµ÷¼Á +14 weltZeng 2026-04-09 14/700 2026-04-09 23:14 by wolf97
[¿¼ÑÐ] ³õÊÔ·Ö332£¬Ò»Ö¾Ô¸±¨¿¼Î÷±±¹¤Òµ´óѧ£¬ +11 ¹ÊÈË?? 2026-04-09 11/550 2026-04-09 21:54 by JineShine
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û