Znn3bq.jpeg
²é¿´: 1105  |  »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] ÇóÖúµ÷¼Á£¬¿çµ÷ +19 XÊ®¸¦´çY 2026-04-11 20/1000 2026-04-15 21:18 by cuisz
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +9 Ö½ÉÈzhishan 2026-04-13 9/450 2026-04-15 18:28 by ANÁ÷800
[¿¼²©] 26Äêµç³Ø·½Ïò²©Ê¿ÉêÇë 10+3 15615939259 2026-04-09 4/200 2026-04-15 14:22 by kwansei
[¿¼ÑÐ] 085801µçÆø×¨Ë¶272Çóµ÷¼Á +19 µçÆøÀî 2026-04-13 21/1050 2026-04-15 13:37 by ºÚ¿Æ¼¼¿óÒµ
[¿¼ÑÐ] ²ÄÁϹ¤³Ì281»¹Óе÷¼Á»ú»áÂð +43 xaw. 2026-04-11 44/2200 2026-04-15 12:46 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] ʳƷÓëÓªÑø£¨0955£©271Çóµ÷¼Á +15 Éý¸ñ°¢´ï 2026-04-12 16/800 2026-04-14 13:18 by ¸¡Èô_°²Éú
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó 085600 277 12²Ä¿Æ»ùÇóµ÷¼Á 5+5 chenny174 2026-04-10 37/1850 2026-04-14 07:39 by Abskk
[¿¼ÑÐ] 332Çóµ÷¼Á +15 ½¶½¶123 2026-04-10 15/750 2026-04-13 23:12 by pies112
[¿¼ÑÐ] 0856ר˶Çóµ÷¼Á Ï£ÍûÊÇaÇøÔºÐ£ +24 ºÃºÃÐÝÏ¢ºÃ²»ºÃ 2026-04-09 27/1350 2026-04-13 22:22 by pies112
[¿¼ÑÐ] 2026˶ʿµ÷¼Á_Äܶ¯_ºÓÄÏũҵ´óѧ +4 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-12 4/200 2026-04-13 22:01 by bljnqdcc
[¿¼ÑÐ] 293Çóµ÷¼Á +16 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 18/900 2026-04-13 21:47 by ѧԱJpLReM
[¿¼ÑÐ] 339Çóµ÷¼Á +4 hanwudada 2026-04-12 4/200 2026-04-13 12:03 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á288 +7 ioodiiij 2026-04-10 9/450 2026-04-13 08:33 by Hayaay
[¿¼ÑÐ] 307Çóµ÷¼Á +10 tzq94092 2026-04-10 10/500 2026-04-12 08:18 by wise999
[¿¼ÑÐ] 22408µ÷¼Á315·Ö +3 zhuangyan123 2026-04-09 3/150 2026-04-12 00:25 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 087100³õÊÔ311Çóµ÷¼Á +4 ÈÎÑÅÇÙ 2026-04-09 4/200 2026-04-11 10:33 by zhq0425
[¿¼ÑÐ] 22408 352·ÖÇóµ÷¼Á0854Àà +4 ŬÁ¦µÄÏÄÄ© 2026-04-09 4/200 2026-04-11 09:57 by zhq0425
[¿¼ÑÐ] 22408 366·Ö£¬±¾¿Æ211£¬Ò»Ö¾Ô¸Î÷¹¤´ó +4 Rubt 2026-04-09 4/200 2026-04-10 19:51 by chemisry
[¿¼ÑÐ] Ò»Ö¾Ô¸¾©Çø985£¬085401µç×ÓÐÅÏ¢£¬±¾¿Æµç×ÓÐÅÏ¢ +3 Ñô¹â¿ªÀʵÄÄк¢ 2026-04-10 3/150 2026-04-10 16:29 by sophia_93
[¿¼ÑÐ] Çóµ÷¼Á ²ÄÁÏÓ빤³Ì 324·Ö ר˶ +19 ôæôæÒ»ÊéÉú 2026-04-10 21/1050 2026-04-10 11:41 by wp06
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û