±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1883  |  »Ø¸´: 18

zhangguangping

ľ³æ (ÖøÃûдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿transiestaÖйØÓÚ¹ìµÀµÄÎÊÌâ ÒÑÓÐ4È˲ÎÓë

ʹÓÃtransiestaµÄ³æÓÑÃÇ
ÏëÇë½ÌÒ»¸öÎÊÌ⣺ÔÚ×öÊäÔ˼ÆËãµÄʱºò£¬ÎÊʲôÓÐЩÎÄÕ¸øø³öÁËijЩ·Ö×Ó¹ìµÀµÄ·Ö²¼Í¼ÐΡ£ÔÚÊäÔËÌåϵÖв»ÊÇÒѾ­Ã»ÓйìµÀ¿ÉÑÔÁËÂð£¿
ÎÒÏëÖªµÀ¸ø³öµÄÄÇЩ¹ìµÀÊÇÔõô¼ÆËã³öÀ´µÄ¡£
ÓÐЩÎÄÕÂÊÇÓÃtransiesta×öµÄ£¬Ò²»­³öÁËÏàÓ¦µÄHOMO£¬LUMOµÈ·Ö×Ó¹ìµÀ¡£
Èç¹ûÊÇÔÚtransiesta¾ÍËãµÄʱºò²úÉúµÄÄǸöWFSXÎļþ²úÉúµÄ»°£¬ÄÇôÄǸöÎļþÓ¦¸ÃÊÇÔÚtransiesta¼ÆË㿪ʼ»¹Ã»ÓнøÐиñÁÖº¯ÊýºÍµç×ÓÃܶȽøÐÐ×ÔǢ֮ǰ²úÉúµÄ£¬Õâ¸öʱºòµÄµç×ÓÃܶȲ»ÄÜÕýÈ··´Ó³ÊäÔËʱºòµÄµç×ÓÃܶȷֲ¼Çé¿ö°É£¡
Çë¸ßÊÖÖ¸½Ìһϣ¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ºëµÂÃ÷Ö¾²©Ñ§óÆÐÐ
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

redhaier

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
cenwanglai(½ð±Ò+2):лл»Ø¸´! 2010-07-06 17:02:01
ÒýÓûØÌû:
Originally posted by zhangguangping at 2010-07-06 10:21:39:
ʹÓÃtransiestaµÄ³æÓÑÃÇ
ÏëÇë½ÌÒ»¸öÎÊÌ⣺ÔÚ×öÊäÔ˼ÆËãµÄʱºò£¬ÎÊʲôÓÐЩÎÄÕ¸øø³öÁËijЩ·Ö×Ó¹ìµÀµÄ·Ö²¼Í¼ÐΡ£ÔÚÊäÔËÌåϵÖв»ÊÇÒѾ­Ã»ÓйìµÀ¿ÉÑÔÁËÂð£¿
ÎÒÏëÖªµÀ¸ø³öµÄÄÇЩ¹ìµÀÊÇÔõô¼ÆËã³öÀ´µÄ¡£
ÓÐЩÎÄÕÂÊÇ ...

Õâ¸öHOMO£¨LUMO£©ÊÇͶӰµÄ£¬ ËûÃǹÜËü½Ðprojected self-consistent Hamiltonian£¨MPSH£©£¬¾ÍÊÇÓÃÊäÔË×ÔÇ¢µÄ²¨º¯ÊýͶӰµ½¹ÂÁ¢ÌåϵÇóµÃµÄHOMO£¨LUMO£©¹ìµÀÖУ¬µ±ºÍµç¼«µÄñîºÏ¿ÉÒÔ¿´×ö΢ÈŵÄʱºò£¬Õâ¸ö×ö·¨ÊÇ¿ÉÐеġ£
2Â¥2010-07-06 16:56:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangguangping

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by redhaier at 2010-07-06 09:56:16:



Õâ¸öHOMO£¨LUMO£©ÊÇͶӰµÄ£¬ ËûÃǹÜËü½Ðprojected self-consistent Hamiltonian£¨MPSH£©£¬¾ÍÊÇÓÃÊäÔË×ÔÇ¢µÄ²¨º¯ÊýͶӰµ½¹ÂÁ¢ÌåϵÇóµÃµÄHOMO£¨LUMO£©¹ìµÀÖУ¬µ±ºÍµç¼«µÄñîºÏ¿ÉÒÔ¿´×ö΢ÈŵÄʱºò£¬Õâ¸ö×ö·¨ÊÇ¿É ...

¶ÔÓÚÕâ¸öͶӰ¾ßÌåÔõô×ö£¬ÎÒ²»ÊǺÜÇå³þ¡£ÎÒÄܲ»ÄܶÔÊäÔ˵õ½µÄÌåϵµÄµçºÉÃܶÈÓöԽǻ¯µÄ·½·¨¶ÔÕâ¸öµçºÉÃܶȵõ½µÄ¹þÃܶ٣¬À´µÃµ½Ò»Ì×ÌåϵµÄ·Ö×Ó¹ìµÀ£¬ÕâÌ×·Ö×Ó¹ìµÀÓÐÒâÒåÂð£¿
ºëµÂÃ÷Ö¾²©Ñ§óÆÐÐ
3Â¥2010-07-06 19:33:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

redhaier

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
lvjian8596(½ð±Ò+1):¸Ðл½»Á÷£¡ 2010-07-06 23:07:20
ÒýÓûØÌû:
Originally posted by zhangguangping at 2010-07-06 19:33:21:

¶ÔÓÚÕâ¸öͶӰ¾ßÌåÔõô×ö£¬ÎÒ²»ÊǺÜÇå³þ¡£ÎÒÄܲ»ÄܶÔÊäÔ˵õ½µÄÌåϵµÄµçºÉÃܶÈÓöԽǻ¯µÄ·½·¨¶ÔÕâ¸öµçºÉÃܶȵõ½µÄ¹þÃܶ٣¬À´µÃµ½Ò»Ì×ÌåϵµÄ·Ö×Ó¹ìµÀ£¬ÕâÌ×·Ö×Ó¹ìµÀÓÐÒâÒåÂð£¿

¶ÔÊäÔË×ÔÇ¢µÄHamiltonian¶Ô½Ç»¯Ã»ÓÐÒâÒ壬±Ï¾¹²»ÊDZպϵÄÌåϵ¡£
4Â¥2010-07-06 20:04:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangguangping

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by redhaier at 2010-07-06 13:04:53:


¶ÔÊäÔË×ÔÇ¢µÄHamiltonian¶Ô½Ç»¯Ã»ÓÐÒâÒ壬±Ï¾¹²»ÊDZպϵÄÌåϵ¡£

ËäÈ»²»ÊDZպÏÌåϵ£¬µ«ÊÇÒѾ­°ÑÎÞÏÞ´óµÄµç¼«¶ÔÖмäÀ©Õ¹·Ö×Ó²¿·ÖµÄÓ°ÏìÒѾ­¿¼Âǵ½¹þÃܶÙÖÐÁË£¬ËùÒÔÔÚ¼ÆËãµÄ¹ý³ÌÖÐʵ¼ÊÉϺͼÆËã¹ÂÁ¢ÌåϵûʲôÁ½Ñù¡£ÏÖÔÚÒѾ­µÃµ½À©Õ¹·Ö×Ó²¿·Ö×ÔÇ¢µÄµç×ÓÃܶÈÁË£¬ÓÃÕâ¸öµç×ÓÃܶÈÈ¥¼ÆËãÀ©Õ¹·Ö×Ó²¿·ÖµÄ¹þÃܶ٣¬Õâ¸ö¹þÃܶÙÒѾ­°üº¬Á˵缫µÄÓ°ÏìÁË£¬¶ÔÕâ¸ö¹þÃܶٽøÐжԽǻ¯µÃµ½µÄ¹ìµÀ²¨º¯Êý£¬¿ÉÒÔ½üËÆµÄ±íʾÌåϵһЩÐÔÖʰɣ¡
ºëµÂÃ÷Ö¾²©Ñ§óÆÐÐ
5Â¥2010-07-06 20:28:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

redhaier

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by zhangguangping at 2010-07-06 20:28:30:

ËäÈ»²»ÊDZպÏÌåϵ£¬µ«ÊÇÒѾ­°ÑÎÞÏÞ´óµÄµç¼«¶ÔÖмäÀ©Õ¹·Ö×Ó²¿·ÖµÄÓ°ÏìÒѾ­¿¼Âǵ½¹þÃܶÙÖÐÁË£¬ËùÒÔÔÚ¼ÆËãµÄ¹ý³ÌÖÐʵ¼ÊÉϺͼÆËã¹ÂÁ¢ÌåϵûʲôÁ½Ñù¡£ÏÖÔÚÒѾ­µÃµ½À©Õ¹·Ö×Ó²¿·Ö×ÔÇ¢µÄµç×ÓÃܶÈÁË£¬ÓÃÕâ¸öµç×ÓÃܶÈÈ¥¼Æ ...

ÎÒ²»ÖªµÀÒ»¸ö¿ª·ÅÌåϵΪʲô¿ÉÒÔͨ¹ý¶Ô½Ç»¯À´¸ø³öµç×ÓÕ¼¾ÝµÄ×´¿ö¡£
6Â¥2010-07-06 20:37:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangguangping

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by redhaier at 2010-07-06 13:37:09:


ÎÒ²»ÖªµÀÒ»¸ö¿ª·ÅÌåϵΪʲô¿ÉÒÔͨ¹ý¶Ô½Ç»¯À´¸ø³öµç×ÓÕ¼¾ÝµÄ×´¿ö¡£

¿ÉÄÜÎÒµÄÏë·¨²»¶Ô£¬ºÇºÇºÇ£¡¼ûЦÁË£¡ÎÒÈÏΪ¿ª·ÅÌåϵÉíҲûÓÐʲô¹ìµÀ¿ÉÑÔ¡£¹ìµÀ²»¶¼ÊǶԽǻ¯µÄ±¾Õ÷ÏòÁ¿Âð£¿Í¶Ó°µ½¹ÂÁ¢µÄ·Ö×ÓÉÏ£¬Ò²ÊÇÒ»ÖÖ½üÂºÃÏñÄÇÑù×ö¸üרҵһµã£¡µ«ÊÇÎÒ²»ÊǺÜÇå³þ¾ßÌåÔõôͶӰ¡£ÄÜ·ñ¸øÎÒ½²½âһϣ¬»òÕßÍÆ¼öÒ»¸öÓйصÄÎÄÏ×£¡Ð»Ð»ÁË£¡
ºëµÂÃ÷Ö¾²©Ñ§óÆÐÐ
7Â¥2010-07-06 21:43:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangguangping

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by redhaier at 2010-07-06 13:37:09:


ÎÒ²»ÖªµÀÒ»¸ö¿ª·ÅÌåϵΪʲô¿ÉÒÔͨ¹ý¶Ô½Ç»¯À´¸ø³öµç×ÓÕ¼¾ÝµÄ×´¿ö¡£

ÁíÍ⣬Èç¹ûÎÒ×ö²»³öͶӰ¹ìµÀµÄ»°£¬ÊDz»ÊÇÎÒÓÃÌåϵµÄ̬ÃܶÈÒ²¿ÉÒÔ˵Ã÷ÎÊÌâ°¡£¡¸ù¾ÝÊäÔËÌåϵµÄ̬Ãܶȿ´Ò»¿´³öÒ»¸öÒ»¸öÕ¹¿íµÄ·å£¬Ò»¸ö·å¾Í¶ÔÓ¦Ô­À´·Ö×ÓÌåϵµÄÒ»¸ö¹ìµÀ±¾Õ÷Öµ¡£Èç¹ûÎÒѡȡ·å¸½½üµÄÒ»¸öÄÜÁ¿·¶Î§»­³öÕâ¸öÄÜÁ¿·¶Î§µÄ̬ÃܶÈÔÚ¿Õ¼äµÄ·Ö²¼Ó¦¸ÃºÍ»­¹ìµÀÓÐÏàËÆµÄЧ¹û°É£¿
ллָµã£¡
ºëµÂÃ÷Ö¾²©Ñ§óÆÐÐ
8Â¥2010-07-06 21:52:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

redhaier

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by zhangguangping at 2010-07-06 21:52:48:

ÁíÍ⣬Èç¹ûÎÒ×ö²»³öͶӰ¹ìµÀµÄ»°£¬ÊDz»ÊÇÎÒÓÃÌåϵµÄ̬ÃܶÈÒ²¿ÉÒÔ˵Ã÷ÎÊÌâ°¡£¡¸ù¾ÝÊäÔËÌåϵµÄ̬Ãܶȿ´Ò»¿´³öÒ»¸öÒ»¸öÕ¹¿íµÄ·å£¬Ò»¸ö·å¾Í¶ÔÓ¦Ô­À´·Ö×ÓÌåϵµÄÒ»¸ö¹ìµÀ±¾Õ÷Öµ¡£Èç¹ûÎÒѡȡ·å¸½½üµÄÒ»¸öÄÜÁ¿·¶Î§»­³öÕâ ...

Äã¸ø¸öÓÊÏ䣬ÎÒ¸øÄã´«ÎÄÏ×£¬ÊǺîÊ¿ÃôÀÏʦµÄѧÉúÀîÈñµÄ²©Ê¿ÂÛÎÄ£¬ÀïÃæÓÐÏêϸµÄ½éÉÜ£¬ÁíÍâÄã˵µÄͶӰ̬ÃܶȵÄ×ö·¨£¬ÎÒ¾õµÃ¿ÉÐС£
9Â¥2010-07-07 00:40:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wei.ji

ľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Äã×î½üºÜÇåÏÐѽ£¬À´Ö®Ç°²»×¼±¸»Ø¹úÒ»ÌË£¿
ÒýÓûØÌû:
Originally posted by redhaier at 2010-07-07 00:40:07:



Äã¸ø¸öÓÊÏ䣬ÎÒ¸øÄã´«ÎÄÏ×£¬ÊǺîÊ¿ÃôÀÏʦµÄѧÉúÀîÈñµÄ²©Ê¿ÂÛÎÄ£¬ÀïÃæÓÐÏêϸµÄ½éÉÜ£¬ÁíÍâÄã˵µÄͶӰ̬ÃܶȵÄ×ö·¨£¬ÎÒ¾õµÃ¿ÉÐС£

http://sim.phys.ruc.edu.cn
10Â¥2010-07-07 01:01:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ zhangguangping µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çóµ÷¼ÁÍÆ¼ö ²ÄÁÏ 304 +15 ºÉ°üµ°hyj 2026-03-26 15/750 2026-03-28 04:13 by fmesaito
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304ÇóBÇøµ÷¼Á +7 Çñgl 2026-03-27 7/350 2026-03-27 15:27 by JoeÂÊ
[¿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] һ־Ը̫ԭÀí¹¤°²È«¹¤³Ì300·Ö£¬Çóµ÷¼Á +4 0857Çóµ÷¼Á. 2026-03-24 4/200 2026-03-27 14:03 by ¾²¾²¾²¾²¾²¾²¾²¾
[¿¼ÑÐ] 339Çóµ÷¼Á +4 ¿¾ÂóÑ¿ 2026-03-27 5/250 2026-03-27 13:23 by 752105528
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +8 Æ¥¿Ëi 2026-03-23 8/400 2026-03-27 08:11 by hypershenger
[¿¼ÑÐ] 324Çóµ÷¼Á +8 hanamiko 2026-03-26 10/500 2026-03-27 08:06 by hypershenger
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +3 µ¤ÇàÄÌ¸Ç 2026-03-26 5/250 2026-03-26 20:11 by macy2011
[¿¼ÑÐ] »úеѧ˶310·Ö£¬ÊýÒ»Ó¢Ò»£¬Ò»Ö¾Ô¸211±¾¿ÆË«·ÇÕÒµ÷¼ÁÐÅÏ¢ +3 @357 2026-03-25 3/150 2026-03-26 16:34 by by.MENG
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ì 317Çóµ÷¼Á +4 JKSOIID 2026-03-26 4/200 2026-03-26 15:58 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 081700 µ÷¼Á 267·Ö +11 ÃÔÈ˵Ĺþ¹þ 2026-03-23 11/550 2026-03-26 15:41 by zzll406
[¿¼ÑÐ] ÇóbÇøÔºÐ£µ÷¼Á +4 ÖÜ56 2026-03-24 5/250 2026-03-25 17:12 by yishunmin
[¿¼ÑÐ] 284Çóµ÷¼Á +15 Zhao anqi 2026-03-22 15/750 2026-03-25 12:51 by wht0531
[¿¼ÑÐ] 318Çóµ÷¼Á +3 plumÀî×Ó 2026-03-23 3/150 2026-03-25 09:42 by ÎíÉ¢ºóÏàÓölc
[¿¼ÑÐ] 340Çóµ÷¼Á +5 »°Ã·ÌÇ111 2026-03-24 5/250 2026-03-25 06:53 by ilovexiaobin
[¿¼ÑÐ] ʳƷר˶ һ־Ը˫һÁ÷ 328 +3 xiaom99 2026-03-21 4/200 2026-03-24 21:20 by lailaisimei
[¿¼ÑÐ] 300Çóµ÷¼Á£¬²ÄÁÏ¿ÆÑ§Ó¢Ò»Êý¶þ +5 leaflight 2026-03-24 5/250 2026-03-24 16:25 by laoshidan
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ¿ØÖÆÑ§Ë¶320Çóµ÷¼Á +3 Grand777 2026-03-21 3/150 2026-03-21 19:23 by ¼òÖ®-
[¿¼ÑÐ] Ò»Ö¾Ô¸Éî´ó£¬0703»¯Ñ§£¬×Ü·Ö302£¬Çóµ÷¼Á +4 ÆßÔÂ-ÆßÆß 2026-03-21 4/200 2026-03-21 18:20 by ѧԱ8dgXkO
[¿¼ÑÐ] ÇóÖú +5 ÃÎÀïµÄÎÞÑÔ 2026-03-21 6/300 2026-03-21 17:51 by ѧԱ8dgXkO
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û