| ²é¿´: 1258 | »Ø¸´: 5 | ||
mscic½ð³æ (ÕýʽдÊÖ)
|
[ÇóÖú]
Minnesota 11 meta-GGA family
|
| ÇëÎÊһϣ¬ÕâЩGGAÔõôÓÃÄØ£¿ |
» ²ÂÄãϲ»¶
PbSÁ¿×Óµã×ÏÍâÎüÊÕ
ÒѾÓÐ0È˻ظ´
Çó±ê×¼¿¨Æ¬Cu0.4In0.4Zn1.2S2 PDF#32-0340
ÒѾÓÐ2È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ265È˻ظ´
±ÈÀûʱ³ãë´óѧÓë¹ú¼ÒÁôѧ»ù½ðί¹²Í¬×ÊÖú²©Ê¿Ñо¿ÉúCSC-KU Leuven PhD Scholarship
ÒѾÓÐ0È˻ظ´
Á¿×ÓµãµçÖ·¢¹âÆ÷¼þ£¨QLED£©£ºÀ¶¹âÁ¿×ӵ㣨QDs£©ºÍÄÉÃ×Ñõ»¯Ð¿µç×Ó´«Êä²ÄÁÏ
ÒѾÓÐ0È˻ظ´
ÐèÒªÒ»¸öԲƫÕñ¹âÓÕµ¼»¯Ñ§·´Ó¦£¬ÇëÎÊʹÓÃԲƫÕñ¹â×÷Ϊ¹âÔ´£¬Ó¦¸ÃÐèÒªÄÄЩÉ豸´î½¨
ÒѾÓÐ0È˻ظ´
Â×¶Ø´óѧѧԺBenjamin Moss²©Ê¿ÕÐÊÕÈ˹¤ÖÇÄÜ¡¢Ôλ¹âÆ×¡¢´ß»¯Ïà¹Ø26Ä격ʿÉú
ÒѾÓÐ11È˻ظ´
Öйú¿ÆÑ§Ôº³É¶¼É½µØÔÖº¦Óë»·¾³Ñо¿Ëù2026ÄêÌØ±ðÑо¿ÖúÀí£¨²©Ê¿ºó£©ÕÐÆ¸ÆôÊÂ
ÒѾÓÐ0È˻ظ´
ÇóENDNOTEÆÆ½âÈí¼þ°²×°°ü
ÒѾÓÐ4È˻ظ´
ºÓº£´óѧ £¨211.˫һÁ÷¸ßУ£©¸ÆîÑ¿ó¹âµçʵÑéÊÒ¶¡ÓÂÍŶӻ¶ÓÓÐÖ¾ÇàÄ꣡
ÒѾÓÐ3È˻ظ´
ºÚÁú½Ê¡Ô×ÓÄÜÑо¿Ôº»¯Ñ§¿ÎÌâ×éÕÐÊÕ2026¼¶»¯Ñ§×¨Òµ»ò»¯Ñ§Ïà¹Ø×¨ÒµË¶Ê¿Éú
ÒѾÓÐ0È˻ظ´
yflchx
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 19 (СѧÉú)
- ½ð±Ò: 940.6
- É¢½ð: 3140
- ºì»¨: 14
- Ìû×Ó: 590
- ÔÚÏß: 3085.9Сʱ
- ³æºÅ: 766553
- ×¢²á: 2009-05-09
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
mscic(½ð±Ò+5): лл¡¡µ«ÊÇMFMÔõôÓÃÄØ£¬ÎÒ¿´ÁË£¬¾ÍÊÇһЩ´úÂë°É 2011-11-29 22:10:30
|
http://comp.chem.umn.edu/info/DFT.htm#m11 http://comp.chem.umn.edu/info/G09.html http://comp.chem.umn.edu/mfm/index.html ±ØÐëÒªÓÃMFM 1.5 Yan Zhao, Roberto Peverati, and Donald G. Truhlar Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, MN 55455-0431, USA |
2Â¥2011-11-29 11:00:31
yflchx
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 19 (СѧÉú)
- ½ð±Ò: 940.6
- É¢½ð: 3140
- ºì»¨: 14
- Ìû×Ó: 590
- ÔÚÏß: 3085.9Сʱ
- ³æºÅ: 766553
- ×¢²á: 2009-05-09
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
3Â¥2011-11-29 11:11:15
yflchx
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 19 (СѧÉú)
- ½ð±Ò: 940.6
- É¢½ð: 3140
- ºì»¨: 14
- Ìû×Ó: 590
- ÔÚÏß: 3085.9Сʱ
- ³æºÅ: 766553
- ×¢²á: 2009-05-09
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡ï ¡ï
gmy1990(½ð±Ò+2): 2011-11-29 23:19:02
gmy1990(½ð±Ò+2): 2011-11-29 23:19:02
|
Energies, analytic gradients, and analytic Hessian are available for all above functionals in Gaussian 09 and/or MN-GFM. MN-GFM is a locally modified module of Gaussian. Note MN-GFM is currently only tested for G03. Our license does not allow distribution of this module. ÏÖÔÚÒªÓõϰ£¬±È½ÏÂé·³¡£ Èç¹ûÄãÓÐÐËȤµÄ»°£¬¿ÉÒÔÊÔ×ŰÑDonald G. TruhlarµÄ´úÂëÏÈÐмӵ½GAMESSÀïÃæÈ¥¡£ ¿ÉÒԲο¼GAMESS sourceÎļþ¼ÐϵÄdftxcc.srcÎļþ¡£ |
4Â¥2011-11-29 22:24:03
mscic
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 6 (Ó×¶ùÔ°)
- ½ð±Ò: 611.2
- É¢½ð: 150
- ºì»¨: 5
- Ìû×Ó: 454
- ÔÚÏß: 310.3Сʱ
- ³æºÅ: 443152
- ×¢²á: 2007-10-27
- ÐÔ±ð: GG
- רҵ: ½á¹¹»¯Ñ§
5Â¥2011-11-30 09:29:51
yflchx
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 19 (СѧÉú)
- ½ð±Ò: 940.6
- É¢½ð: 3140
- ºì»¨: 14
- Ìû×Ó: 590
- ÔÚÏß: 3085.9Сʱ
- ³æºÅ: 766553
- ×¢²á: 2009-05-09
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
6Â¥2011-11-30 09:57:01













»Ø¸´´ËÂ¥
20