±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1545  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

wyhzj1987

Í­³æ (СÓÐÃûÆø)

[ÇóÖú] ÖØµþ²¼¾ÓÊý

¸÷λ¸ßÊÖ£¬ÎÒÏÖÔÚ¶ÔÒ»¸öîÙ½ðÊôµÄÅäºÏÎï×öÁ˸ß˹¼ÆË㣬Æä½á¹ûÒ²Ëã³öÀ´ÁË£¬µ«ÎÒ²»ÖªµÀÔõô´Ó½á¹ûÖÐÕÒ³öÖØµþ²¼¾ÓÊý£¬Çë´ó¼ÒÖ¸µãһϣ¿£¿

[ Last edited by zhou2009 on 2011-11-18 at 08:59 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhou2009

°æÖ÷ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

Ïê¼ûSobereva²©Ê¿µ±Äê×÷µÄ¹¦¿Î£º
¡°Gaussianµç×Ó²¼¾ÓÊä³öÄÚÈݵĽâÊÍ¡±
http://hi.baidu.com/sobereva/blo ... d6589058ee9048.html
4Â¥2011-11-18 09:13:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

gmy1990

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

wyhzj1987(½ð±Ò+10): Ì«¸ÐлÁË£¡ 2011-11-18 12:37:39
¼Ó¹Ø¼ü´Ê£ºPop=Full£¬µÃµ½£ºmolecular orbital coefficients and energies

¼Ó¹Ø¼ü´Ê£ºiop(3/33=1)£¬µÃµ½£ºoverlap matrix
2Â¥2011-11-17 23:04:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhou2009

°æÖ÷ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
gmy1990(½ð±Ò+3): 2011-11-18 09:39:01
¸ß˹¼ÆËãÊä³öÖУ¬DENSITY MATRIXÖзǶԽÇÔª¾ÍÊǸ÷»ù×éÖ®¼äµÄÖØµþ²¼¾ÓÊý¡£
3Â¥2011-11-18 08:55:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wyhzj1987

Í­³æ (СÓÐÃûÆø)

ÎÒÏëÔÚÓÅ»¯ºÃµÄ½á¹¹»ù´¡ÉÏÔÙËãÖØµþ²¼¾ÖÊý£¬ÇëÎÊÒªÔõô±àд¹Ø¼ü´Êѽ
6Â¥2011-11-18 12:45:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 312Çóµ÷¼Á +3 ÉÞÔÂÉ« 2026-04-02 4/200 2026-04-02 21:50 by macy2011
[¿¼ÑÐ] 277Çóµ÷¼Á +3 12A3 2026-04-02 3/150 2026-04-02 21:30 by swb0218
[¿¼ÑÐ] 351Çóµ÷¼Á +3 ÁùÙâ°º°¡ 2026-03-27 3/150 2026-04-02 21:08 by dongzh2009
[¿¼ÑÐ] ѧ˶»úе¹¤³Ì303Çóµ÷¼Á +5 ÎÞÃûËùÒÔ½ÐÎâÃ÷ 2026-03-30 5/250 2026-04-02 20:12 by hengsmith
[¿¼ÑÐ] ¡£ +4 ÎíÓ뺣 2026-04-02 5/250 2026-04-02 19:16 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ085601²ÄÁϹ¤³ÌÓ¢Ò»Êý¶þ³õÊÔ×Ü·Ö335Çóµ÷¼Á +9 Ë«ÂíβƦÀϰå2 2026-04-01 9/450 2026-04-02 12:14 by oooqiao
[¿¼ÑÐ] 311Çóµ÷¼Á +9 Ó¸ҵÄСÎâ 2026-04-02 9/450 2026-04-02 11:37 by Sammy2
[¿¼ÑÐ] Ò»Ö¾Ô¸9³õÊÔ366 ±¾Ë«·ÇÇóµ÷¼Á +4 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 4/200 2026-04-02 09:56 by guanxin1001
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-01 12/600 2026-04-02 00:21 by °ÙÃë¹âÄê
[¿¼ÑÐ] 296Çóµ÷¼Á +4 Íô£¡£¿£¡ 2026-03-31 7/350 2026-04-01 22:04 by ¿Í¶ûÃÀµÂ
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©¿¼Ñе÷¼Á +5 Ìúº©º©123425 2026-03-31 5/250 2026-04-01 18:01 by syh9288
[¿¼ÑÐ] Çóµ÷¼Á +4 ͼ¼ø212 2026-03-30 5/250 2026-04-01 15:32 by ͼ¼ø212
[¿¼ÑÐ] ²ÄÁÏר˶322·Ö +9 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 9/450 2026-04-01 14:30 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 0856µ÷¼Á +7 ÇúÌýóÞ 2026-03-30 7/350 2026-04-01 08:51 by JourneyLucky
[¿¼ÑÐ] 080200ѧ˶£¬»úе¹¤³Ìרҵ277·Ö£¬Çó´ø×ߣ¡ +4 Æ¿×ÓPZ 2026-03-31 4/200 2026-03-31 20:16 by vgtyfty
[¿¼ÑÐ] ÎïÀíѧµ÷¼Á +4 СÑò36 2026-03-30 4/200 2026-03-31 16:16 by lishahe
[¿¼ÑÐ] 266·Ö£¬Çó²ÄÁÏÒ±½ðÄÜÔ´»¯¹¤µÈµ÷¼Á +8 ÍÛºôºßºôºß 2026-03-27 10/500 2026-03-31 13:35 by Huaxue_Wang
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-29 3/150 2026-03-31 10:06 by cal0306
[¿¼ÑÐ] 085600 286·Ö ²ÄÁÏÇóµ÷¼Á +11 ÂéÀ±öÏÓã 2026-03-27 12/600 2026-03-30 19:33 by Wang200018
[¿¼ÑÐ] 352·Ö »¯¹¤Óë²ÄÁÏ +5 º£Äɰٴ¨Ly 2026-03-27 5/250 2026-03-28 03:39 by fmesaito
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û