±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 769  |  »Ø¸´: 4
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

sjsznh

Òø³æ (³õÈëÎÄ̳)

[ÇóÖú] ÓÐË­ÖªµÀDFT/MRCIÔÚÄÄÏÂÔØÂð

GoogleÉÏËÑÁËһȦ£¬Ã»ÕÒµ½
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

nwwolfchj

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by lihb734 at 2011-12-12 19:45:47:
ORCAËÆºõ¿ÉÒÔ×öµÄ£¬ÄãÈ¥¿´¿´

GrimmeµÄDFT£­MRCIÈí¼þÏÖÔÚÒѾ­²»¿ª·¢ÁËÂ𣬷´ÕýÊDz»ÌṩÏÂÔØÁË£¬ºÃÏñÊǺϲ¢µ½ORCAÀïÃæÁË£¬µ«Ã»¾õµÃORCAÄÜʵÏÖDFT£­MRCIµÄ¹¦Äܰ¡£¬Äã¡°ºÃÏñÊÇ¡±ÊÇ´ÓÄÇ¿´µ½µÄѽ£¿ δÊ×ËõµÄMRCIµ¹ÊÇÓС£Ï£ÍûÊ¥µ®ÂíÉϳöÀ´µÄ2.9°æ±¾»áÓС£
5Â¥2011-12-13 09:43:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

nwwolfchj

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
sjsznh(½ð±Ò+1): 2011-12-13 10:00:50
ÎÒÖªµÀÓиöµÂ¹úÈËÔÚ×ö£¬ºÃÏñĿǰû¹«¿ªµÄÔ´´úÂë°É¡£
2Â¥2011-12-11 10:27:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yflchx

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
sjsznh(½ð±Ò+1): 2011-12-13 10:01:00
S. Grimme and M. Waletzke, A combination of Kohn-Sham density functional theory and multi-reference configuration interaction methods, J. Chem. Phys. 111, (1999), 5645. DOI:10.1063/1.479866
3Â¥2011-12-11 11:02:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lihb734

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

Õ¾ÔÚ¼ÆË㻯ѧÈëÃŵÄÃż÷ÉÏ

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
sjsznh(½ð±Ò+1): 2011-12-13 10:01:08
ORCAËÆºõ¿ÉÒÔ×öµÄ£¬ÄãÈ¥¿´¿´
ǰ;¹âÃ÷£¬³ö·ÄÑÃÙ£¡
4Â¥2011-12-12 19:45:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 265Çóµ÷¼Á +5 Сľ³æ085600 2026-03-27 5/250 2026-03-27 17:34 by ºìÓñ¼ÑÈË
[¿¼ÑÐ] 287Çóµ÷¼Á +10 land xuxu 2026-03-26 10/500 2026-03-27 15:33 by ÅÁ¶ûÂíÀ­ÌØ
[¿¼ÑÐ] °²»Õ´óѧר˶ÉúÎïÓëҽҩרҵ(086000)324·Ö£¬Ó¢ÓïÒѹýËÄÁù¼¶£¬Áù¼¶521£¬Çóµ÷¼Á +4 ÃÀζ¿ÉÀÖ¼¦³á 2026-03-26 4/200 2026-03-27 15:27 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 274Çóµ÷¼Á +17 ¹Ë¾ÅóÏҪǫÐé 2026-03-24 23/1150 2026-03-27 15:16 by caszguilin
[¿¼ÑÐ] 269ר˶Çóµ÷¼Á +10 ½ð¶÷±´ 2026-03-21 10/500 2026-03-27 15:10 by caszguilin
[¿¼ÑÐ] 315µ÷¼Á +4 0860Çóµ÷¼Á 2026-03-26 5/250 2026-03-27 11:23 by wangjy2002
[¿¼ÑÐ] 0703»¯Ñ§Ò»Ö¾Ô¸ÄϾ©Ê¦·¶´óѧ303Çóµ÷¼Á +3 zzffylgg 2026-03-24 3/150 2026-03-27 10:42 by shangxh
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉÂʦ´óÉúÎïѧ071000£¬298·Ö£¬Çóµ÷¼Á +5 SYA£¡ 2026-03-23 5/250 2026-03-27 09:29 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁÏѧ˶£¬Çóµ÷¼Á 6+5 ÌǺù«888ll 2026-03-22 10/500 2026-03-27 08:18 by hypershenger
[¿¼ÑÐ] ²ÄÁϵ÷¼Á 5+4 ÏëÒªÒ»ºøÌÒ»¨Ë® 2026-03-25 10/500 2026-03-26 19:56 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 352Çóµ÷¼Á +4 ´óÃ×·¹£¡ 2026-03-22 4/200 2026-03-26 16:40 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 315·ÖÇóµ÷¼Á +5 26¿¼ÑÐÉϰ¶°æ26 2026-03-26 5/250 2026-03-26 12:11 by laoshidan
[¿¼ÑÐ] »·¾³×¨Ë¶324·ÖÇóµ÷¼ÁÍÆ¼ö +5 ÐùСÄþ¡ª¡ª 2026-03-26 5/250 2026-03-26 12:05 by i_cooler
[¿¼ÑÐ] 085600 ²ÄÁÏÓ뻯¹¤ 329·ÖÇóµ÷¼Á +9 Mr. Z 2026-03-25 9/450 2026-03-26 10:36 by baoball
[¿¼ÑÐ] ÉúÎï¼¼ÊõÓ빤³Ì +3 1294608413 2026-03-25 4/200 2026-03-25 18:02 by 1294608413
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏÓ뻯¹¤303·ÖÇóµ÷¼Á +4 Ϊѧ666 2026-03-24 4/200 2026-03-25 11:27 by BruceLiu320
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
[¿¼ÑÐ] 305·ÖÇóµ÷¼Á£¨Ê³Æ·¹¤³Ì£© +5 Sxy112 2026-03-21 7/350 2026-03-24 12:27 by 544594351
[¿¼²©] 26É격×Ô¼ö +3 whh869393 2026-03-24 3/150 2026-03-24 09:55 by 21018060
[¿¼ÑÐ] 070300£¬Ò»Ö¾Ô¸±±º½320Çóµ÷¼Á +3 Jerry0216 2026-03-22 5/250 2026-03-23 09:16 by ¡£¡£ÌÃÌÃ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û