Znn3bq.jpeg
²é¿´: 769  |  »Ø¸´: 2

÷öÑæ

гæ (СÓÐÃûÆø)


[½»Á÷] Gamess¼ÆË㼤·¢Ì¬Ê±Äܲ»ÄÜ¿¼ÂÇ×ÔÐý-¹ìµÀñîºÏSOC£¿

RT£¬ÏëÓÃGamess¼ÆËãEOMCCSD£¬µ«ÊDz»ÖªµÀÄܲ»ÄÜ¿¼ÂÇ×ÔÐý-¹ìµÀñîºÏ½øÈ¥£¬Çó´óÉñ½â´ð£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
gkf¸ß: ½ð±Ò+3 2013-08-05 22:57:23
÷öÑæ: ½ð±Ò+3 2013-08-08 17:36:22
ĿǰֻÓÐcfour³ÌÐòÖ§³Ö´Ë·½·¨£¬µ«ÊÇÉÐδ·¢²¼¡£
J. Chem. Phys. 129, 194106 (2008)

±È½Ï½Ó½üµÄ·½·¨ÊÇDirac³ÌÐòµÄFock¿Õ¼äñîºÏ´ØÀíÂÛ¡£²»¹ý£¬´Ë·½·¨µÄ¼ÆËãÁ¿ºÜ´ó£¬¶øÇÒÊÕÁ²ËٶȺÜÂý¡£
2Â¥2013-08-05 22:14:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

÷öÑæ

гæ (СÓÐÃûÆø)


ÒýÓûØÌû:
2Â¥: Originally posted by beefly at 2013-08-05 22:14:30
ĿǰֻÓÐcfour³ÌÐòÖ§³Ö´Ë·½·¨£¬µ«ÊÇÉÐδ·¢²¼¡£
J. Chem. Phys. 129, 194106 (2008)

±È½Ï½Ó½üµÄ·½·¨ÊÇDirac³ÌÐòµÄFock¿Õ¼äñîºÏ´ØÀíÂÛ¡£²»¹ý£¬´Ë·½·¨µÄ¼ÆËãÁ¿ºÜ´ó£¬¶øÇÒÊÕÁ²ËٶȺÜÂý¡£

лл£¬ÎÒ¿´gamess¿ÉÒÔÖ±½Ó¼ÆËãSOC£¬Ïë×ÅÊDz»ÊÇÔÚ¼ÆËãEOMCCµÄʱºòÒ²¿ÉÒÔ°ÑËü¿¼ÂǽøÈ¥£¬¿´À´ÊÇÐв»Í¨
3Â¥2013-08-08 17:35:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ÷öÑæ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯Ñ§070300 Çóµ÷¼Á +6 ¹þ¹þ¹þ^_^ 2026-04-12 6/300 2026-04-12 19:07 by lyzqyy
[¿¼ÑÐ] ÉúÎïѧ308Çóµ÷¼Á +5 ÏàÐűػá¹ââÍòÕ 2026-04-11 5/250 2026-04-12 18:14 by zhouxiaoyu
[¿¼ÑÐ] 086000µ÷¼Á +6 Ê®Æßsa 2026-04-07 6/300 2026-04-12 11:05 by ´óÁ¦Ë®ÊÖÁ¦´óÎÞÇ
[¿¼ÑÐ] 0854Çóµ÷¼Á +7 assdll 2026-04-05 7/350 2026-04-11 10:34 by Delta2012
[¿¼ÑÐ] 293Çóµ÷¼Á +6 ÓÂÔ¶¿â°®314 2026-04-08 6/300 2026-04-11 10:08 by zhq0425
[¿¼ÑÐ] 22408µ÷¼ÁÇóÖú +7 ì±12 2026-04-09 9/450 2026-04-11 09:23 by ŶŶ123
[¿¼ÑÐ] 337Çóµ÷¼Á +4 ÑÐs. 2026-04-10 4/200 2026-04-11 08:57 by zhq0425
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +17 ŬÁ¦·Ü¶·112 2026-04-06 20/1000 2026-04-11 00:31 by wangjihu
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +23 ŬÁ¦·Ü¶·112 2026-04-08 23/1150 2026-04-10 23:29 by 314126402
[¿¼ÑÐ] Çóµ÷¼Á +5 ²»»á·ÉµÄÓã@ 2026-04-10 5/250 2026-04-10 19:07 by chemisry
[¿¼ÑÐ] Ò»Ö¾Ô¸¾©Çø985£¬085401£¬Óë±¾¿Æ×¨ÒµÒ»Ö£¬µç×ÓÐÅÏ¢¹¤³Ì£¬ +4 Ñô¹â¿ªÀʵÄÄк¢ 2026-04-10 4/200 2026-04-10 18:27 by shenrf
[¿¼ÑÐ] ±¾9 Ò»Ö¾Ô¸Î÷¹¤´ó085601 324Çóµ÷¼Á +5 wysyjs25 2026-04-10 5/250 2026-04-10 16:57 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬326ÉúÎïѧÇóÏà¹Ø×¨Òµµ÷¼Á +4 Áõīī 2026-04-09 4/200 2026-04-10 12:07 by pengliang8036
[¿¼ÑÐ] ³õÊÔ·Ö332£¬Ò»Ö¾Ô¸±¨¿¼Î÷±±¹¤Òµ´óѧ£¬ +11 ¹ÊÈË?? 2026-04-09 11/550 2026-04-09 21:54 by JineShine
[¿¼ÑÐ] Ò»Ö¾Ô¸985³õÊÔ354·ÖÉúÎïµ÷¼Á +3 031001 2026-04-06 3/150 2026-04-09 00:30 by Evan_Liu
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +14 Ò»ÑùYWY 2026-04-06 14/700 2026-04-08 23:00 by Öí»á·É
[¿¼ÑÐ] 287Çóµ÷¼Á +6 Fnhc 2026-04-07 6/300 2026-04-08 10:05 by xingguangj
[¿¼ÑÐ] Çó¿¼ÑвÄÁϵ÷¼Á +3 ²Ä»¯Àî¿É 2026-04-07 3/150 2026-04-08 00:21 by JourneyLucky
[¿¼ÑÐ] 11408 325·Ö +3 jgtxuxgkx 2026-04-07 3/150 2026-04-07 23:10 by lbsjt
[¿¼ÑÐ] 307Çóµ÷¼Á +3 Youth@@ 2026-04-07 3/150 2026-04-07 09:25 by СºÚ²»ÅÂÄÑ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û