Znn3bq.jpeg
²é¿´: 3057  |  »Ø¸´: 6

nnwang

ľ³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿Ê²Ã´ÊÇTD-DFT

ÇëÎÊ£¬Ê²Ã´ÊÇTD-DFT£¬ÓëDFTÓкÎÇø±ð£¿Ô­ÀíÊÇÔõôÑùµÄ£¿Ð»Ð»£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zyj8119

ľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
ghcacj(½ð±Ò+2):лл 2010-08-25 21:39:41
nnwang(½ð±Ò+1):лл£¡ 2010-08-25 22:19:38
º¬Ê±Ãܶȷºº¯°É£¿¾ÍÊÇÒª¿¼ÂÇʱ¼äµÄ±ä»¯¡£
ºÃºÃѧϰ£¬ÌìÌìÏòÉÏ¡£
2Â¥2010-08-25 17:08:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

PSA

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

DFTÊÇʲô
3Â¥2010-08-25 20:55:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

PSA

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

֮ǰÇë½Ì¹ýÕâÎÊÌ⣬ûÈË´îÀíÎÒ
4Â¥2010-08-25 20:56:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ghcacj

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

°¢³¬

ÓÅÐã°æÖ÷

¡ï ¡ï
lei0736(½ð±Ò+2):лл 2010-08-26 12:42:25
ÒýÓûØÌû:
Originally posted by PSA at 2010-08-25 20:55:56:
DFTÊÇʲô

DFT¾ÍÊÇÃܶȷºº¯ÀíÂÛ
5Â¥2010-08-25 21:47:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nnwang

ľ³æ (СÓÐÃûÆø)

¶ÔÓÚº¬Ê±Ãܶȷºº¯ÄÜÔÙ½âÊ͵ÄÏêϸµãÂð£¿Ð»Ð»ÁË£¡
6Â¥2010-08-25 22:22:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zyj8119

ľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
nnwang(½ð±Ò+1): 2010-08-26 09:28:04
lei0736(½ð±Ò+2):лл 2010-08-26 12:42:34
http://en.wikipedia.org/wiki/Tim ... y_functional_theory
ά»ù°Ù¿ÆµÄ½âÊÍ£¬ºÜÏêϸÁË£¬Èç¹ûÒª×öTDDFTµÄ¼ÆË㣬GAUSSIANÖоÍÓС£
ºÃºÃѧϰ£¬ÌìÌìÏòÉÏ¡£
7Â¥2010-08-26 02:20:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ nnwang µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[Óлú½»Á÷] ¶þ±½¼×ͪËáÀàÑÜÉúÎï 50+3 С°×°®Ö÷ÈË 2026-04-17 6/300 2026-04-17 18:47 by kf2781974
[¿¼ÑÐ] 0854Çóµ÷¼Á +21 ÃÅ·ÃþÃþ 2026-04-15 25/1250 2026-04-17 15:45 by qzxyhcsy
[¿¼ÑÐ] ²ÄÁÏÏà¹Ø×¨Òµ344Çóµ÷¼ÁË«·Ç¹¤¿ÆÑ§Ð£»ò¿ÎÌâ×é +23 hualkop 2026-04-12 25/1250 2026-04-16 22:12 by SUSE_CL
[¿¼ÑÐ] 22408 312Çóµ÷¼Á +23 ÃÅ·ÃþÃþ 2026-04-14 25/1250 2026-04-16 21:21 by Art1977
[¿¼ÑÐ] 307ÖÐÒ½¿¼Ñе÷¼Á +6 ÓÚÒÔ²ÉÞÀ 2026-04-14 6/300 2026-04-16 16:20 by qingfeng258
[¿¼ÑÐ] 290µ÷¼ÁÉúÎï0860 +38 ÍÛ¹þ¹þ£¬¡£ 2026-04-11 44/2200 2026-04-16 09:52 by cuisz
[¿¼ÑÐ] Ò»Ö¾Ô¸AÇø211£¬22408 321Çóµ÷¼Á +6 ËæÐÄËùÓû¡î 2026-04-15 7/350 2026-04-15 21:45 by lbsjt
[¿¼ÑÐ] ҩѧ305Çóµ÷¼Á +7 Â꿨°Í¿¨boom 2026-04-11 7/350 2026-04-15 13:21 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] µ÷¼ÁÇóÊÕÁô +34 ¹ûÈ»ÓÐÎÒ 2026-04-10 35/1750 2026-04-15 13:05 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] ¿¼Ñе÷¼Á +13 ³¤¹­°Á 2026-04-13 14/700 2026-04-14 14:44 by zs92450
[¿¼ÑÐ] 105500ҩѧÇóµ÷¼Á +4 x_skys 2026-04-12 4/200 2026-04-14 13:37 by rndfc
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +24 Ò¶zilin 2026-04-13 25/1250 2026-04-14 09:20 by ÊÔ¹ÜÆÆÁÑ
[¿¼ÑÐ] 300·ÖÇóµ÷¼Á £¨085501»úеר˶£¬±¾¿ÆÑï´ó£© +9 xu@841019 2026-04-11 10/500 2026-04-14 08:48 by ľľmumu¡«
[¿¼ÑÐ] 2026˶ʿµ÷¼Á_Äܶ¯_ºÓÄÏũҵ´óѧ +4 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-12 4/200 2026-04-13 22:01 by bljnqdcc
[¿¼ÑÐ] 293Çóµ÷¼Á +16 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 18/900 2026-04-13 21:47 by ѧԱJpLReM
[¿¼ÑÐ] BÇø0809 £¬ÊýÒ»Ó¢Ò»£¬290 Çóµ÷¼Á +3 ãöΫ1111 2026-04-12 4/200 2026-04-13 20:35 by ѧԱJpLReM
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼Á +29 ÔÆÄ¾´ï´ï 2026-04-11 31/1550 2026-04-13 13:32 by lyh³ÀÏʦ
[¿¼ÑÐ] 344 ²ÄÁÏרҵ Çóµ÷¼Á211 ÎÞµØÓòÒªÇó +8 hualkop 2026-04-11 8/400 2026-04-12 22:24 by fqwang
[¿¼ÑÐ] 270Çóµ÷¼Á +14 ÑîÀÖ369 2026-04-11 14/700 2026-04-11 20:16 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 352 Çóµ÷¼Á +6 yzion 2026-04-11 8/400 2026-04-11 16:24 by Ã÷Ô´ËʱÓÐ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û