²é¿´: 1568  |  »Ø¸´: 4

Ëï1986

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] ʹÓÃcasscf¼ÆËã̬ƽ¾ùµÄʱºò£¬Ôõô֪µÀÒª°üº¬¼¸¸ö·Ö×Ó¹ìµÀ ÒÑÓÐ2È˲ÎÓë

RT,Çó´óÏÀ²»ÁߴͽÌ
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¾­Ñé

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÁÙÔ¨ÏÛÓ㣬²»ÈçÍ˶ø½áÍø
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gmy1990

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
Ëï1986: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2015-06-26 15:48:01
̬ƽ¾ùºÍ°üº¬¼¸¸ö·Ö×Ó¹ìµÀûÓÐÖ±½ÓÁªÏµ¡£
CASSCF»î»¯¿Õ¼äÈ¡¾öÓÚÄãÑо¿ÐËȤ·½Ïò¡£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

2Â¥2015-06-26 15:44:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ëï1986

½ð³æ (ÕýʽдÊÖ)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
2Â¥: Originally posted by gmy1990 at 2015-06-26 15:44:10
̬ƽ¾ùºÍ°üº¬¼¸¸ö·Ö×Ó¹ìµÀûÓÐÖ±½ÓÁªÏµ¡£
CASSCF»î»¯¿Õ¼äÈ¡¾öÓÚÄãÑо¿ÐËȤ·½Ïò¡£

ÄÜ·ñÏêϸ½²½âһϣ¬»òÕßÄÜ·ñ¸ø·¢Ò»·ÝÏà¹Ø×ÊÁÏ¿´Ò»Ï£¬sunep1005@126.com ¶àл
ÁÙÔ¨ÏÛÓ㣬²»ÈçÍ˶ø½áÍø
3Â¥2015-06-26 15:47:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

virtualzx

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+2, лл½»Á÷ 2015-06-28 22:56:36
Õâ²»ÊÇÒ»Á½¾ä»°ÉõÖÁÒ»Á½¸öСʱÄÜ˵Ã÷µÄÎÊÌâ¡£½¨ÒéÏÈ¿´Ò»ÏÂSchmidtºÍGordon£¬The Construction and Interpretation of MCSCF Wave Functions, Annual Reviews 49, 233 (1998)

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

4Â¥2015-06-27 00:29:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ëï1986

½ð³æ (ÕýʽдÊÖ)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
4Â¥: Originally posted by virtualzx at 2015-06-27 00:29:56
Õâ²»ÊÇÒ»Á½¾ä»°ÉõÖÁÒ»Á½¸öСʱÄÜ˵Ã÷µÄÎÊÌâ¡£½¨ÒéÏÈ¿´Ò»ÏÂSchmidtºÍGordon£¬The Construction and Interpretation of MCSCF Wave Functions, Annual Reviews 49, 233 (1998)
...

¶àл£¬¶àл

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
ÁÙÔ¨ÏÛÓ㣬²»ÈçÍ˶ø½áÍø
5Â¥2015-06-27 11:08:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ Ëï1986 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 297Çóµ÷¼Á +3 ÌïºéÓÐ 2026-03-26 3/150 2026-03-26 09:38 by ÑîÑîÑî×Ï
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶0703×Ü·Ö337Çóµ÷¼Á +7 niko- 2026-03-22 7/350 2026-03-25 20:14 by qingfeng258
[¿¼ÑÐ] 290·Öµ÷¼ÁÇóÖú +3 ¼ªÏéÖ¹Ö¹³Â 2026-03-25 3/150 2026-03-25 19:58 by barlinike
[¿¼ÑÐ] 333Çóµ÷¼Á +6 87639 2026-03-21 11/550 2026-03-25 16:17 by 87639
[¿¼ÑÐ] 359Çóµ÷¼Á +3 ÍõÁ˸öéª 2026-03-25 3/150 2026-03-25 12:50 by Dyhoer
[¿¼ÑÐ] 086003ʳƷ¹¤³ÌÇóµ÷¼Á +6 íµíµ111 2026-03-24 6/300 2026-03-25 10:29 by 3Strings
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çóµ¼Ê¦ÊÕ +7 ÌìÌìºÃÔËÀ´Éϰ¶° 2026-03-24 7/350 2026-03-24 20:26 by peike
[¿¼²©] 26É격×Ô¼ö +3 whh869393 2026-03-24 3/150 2026-03-24 09:55 by 21018060
[¿¼ÑÐ] 284Çóµ÷¼Á +3 yanzhixue111 2026-03-23 6/300 2026-03-23 22:58 by pswait
[¿¼ÑÐ] ²ÄÁÏ/ũҵרҵ£¬07/08¿ªÍ·¾ù¿É£¬¹ýÏß¾ÍÐÐ +3 ºÇßíŶ»í 2026-03-23 4/200 2026-03-23 22:30 by Íô£¡£¿£¡
[¿¼ÑÐ] 328Çóµ÷¼Á +4 LHHL66 2026-03-23 4/200 2026-03-23 14:55 by lbsjt
[¿¼ÑÐ] 070300£¬Ò»Ö¾Ô¸±±º½320Çóµ÷¼Á +3 Jerry0216 2026-03-22 5/250 2026-03-23 09:16 by ¡£¡£ÌÃÌÃ
[¿¼ÑÐ] 276Çóµ÷¼Á +3 YNRYG 2026-03-21 4/200 2026-03-23 08:31 by ×íÔÚ·çÀï
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤306 +4 z1z2z3879 2026-03-21 4/200 2026-03-21 23:44 by ms629
[¿¼ÑÐ] ³õÊÔ 317 +7 °ëÀ­Ô±û 2026-03-20 7/350 2026-03-21 22:26 by peike
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304ÇóBÇøµ÷¼Á +3 Çñgl 2026-03-20 7/350 2026-03-21 19:05 by 15709483992
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏ´ó£¬0703»¯Ñ§£¬·ÖÊý336£¬Çóµ÷¼Á +3 ÊÕµ½VS 2026-03-21 3/150 2026-03-21 18:42 by ѧԱ8dgXkO
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +4 ÄÝÄÝninicgb 2026-03-21 4/200 2026-03-21 18:39 by ѧԱ8dgXkO
[¿¼ÑÐ] 22 350 ±¾¿Æ985Çóµ÷¼Á£¬ÇóÀϵÇÊÕÁô +3 ÀîéóÄÐ003 2026-03-20 3/150 2026-03-21 13:28 by ²«»÷518
[¿¼ÑÐ] 085601µ÷¼Á 358·Ö +3 zzzzggh 2026-03-20 4/200 2026-03-21 10:21 by luoyongfeng
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û