±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 22822  |  »Ø¸´: 149
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û111´Î£¬×÷Õßvalenhou001Ôö¼Ó½ð±Ò 93.4 ¸ö
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

[×ÊÔ´] ¡¾·ÖÏí¡¿ÈçºÎ×öÓÐÒâÒåµÄDFT¼ÆËã ÒÑÓÐ1È˲ÎÓë

½¨Òé×ö²ÄÁϵĵÚÒ»Ô­Àí¼ÆËãµÄ³õѧÕߣ¬¶Á¶ÁÕâÆª×ÛÊöÎÄÕ£º
Ann E Mattsson, Peter A Schultz, Michael P Desjarlais,
Thomas R Mattsson and Kevin Leung
Designing meaningful density functional theory calculations in materials science¡ªa primer
Modelling Simul. Mater. Sci. Eng. 13 (2005) R1¨CR31
http://iopscience.iop.org/0965-0393/13/1/R01/

ÁÙʱµÄÏÂÔØµØ·½£º
0965-0393_13_1_R01.pdf
http://good.gd/539303.htm
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

·ÂÕæ½¨Ä£Óë¼ÆËã µÚÒ»ÐÔÔ­Àí¼ÆËã×ÊÔ´×ܻ㠲ÄÁϼÆËãÄ£ÄâʵÓü¼ÇÉ µÚÒ»ÐÔÔ­Àí
µÚÒ»Ô­Àí×ÊÁÏ»ã±à µÚÒ»ÐÔÔ­Àí¼ÆËã-tg µÚÒ»Ô­Àí×ÊÁÏÌù ¾«»ªÌû-ºÃ×ÊÔ´
first principle µÚÒ»ÐÔÔ­ÀíÔÓ µÚÒ»ÐÔÔ­Àí ¼ÆË㻯ѧ-¸¨Öú¹¤¾ß
ºÃ×ÊÔ´ÏÂÔØ ¹ÌÌåÎïÀí-µÚÒ»ÐÔÔ­Àí vasp

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ºÙºÙ£¬ÔÚ²©¿ÍÀïÕÒµ½¹ý£¬
38Â¥2010-06-03 13:28:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 150 ¸ö»Ø´ð

ËæÐÄÒâ

гæ (СÓÐÃûÆø)


¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
лл£¬Ñ§Ï°¡£É³·¢°¡
2Â¥2010-06-02 09:56:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¸Ðл¥Ö÷ÕÒµÄÕâÑùºÃµÄÎÄÕ¡£
8Â¥2010-06-02 14:53:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
°ÑÎÄÕµÄÌâÄ¿¼Óµ½Ìû×ӵıêÌâÀïÃæµÄ»°£¬±êÌâµÄ³¤¶ÈÊÜÏÞÖÆ£¬²Ù×÷²»³É¹¦¡£
11Â¥2010-06-02 16:32:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çóµ÷¼Á +6 ÕÅzz111 2026-03-27 7/350 2026-03-27 17:23 by ×óµÄ°¶
[¿¼ÑÐ] Çóµ÷¼Á +3 Áã°Ë# 2026-03-27 3/150 2026-03-27 17:08 by Delta2012
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +3 °®³Ô·¬ÇѵÄÐñ 2026-03-24 4/200 2026-03-27 15:43 by shangxh
[¿¼ÑÐ] 334Çóµ÷¼Á +3 ÓêÇåÌìÇç 2026-03-21 3/150 2026-03-27 11:30 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Çóµ÷¼Á +3 Áõ¿Â@ 2026-03-24 4/200 2026-03-27 11:28 by shangxh
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤¿¼Ñе÷¼Á +16 ‹üÈA 2026-03-22 16/800 2026-03-27 11:23 by ÍõЦÓîÒ»¶¨ÊÇÑо
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó085600£¬310·ÖÇóµ÷¼Á +5 Àîäì¿É 2026-03-26 5/250 2026-03-27 11:14 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +3 ´Þwj 2026-03-26 3/150 2026-03-27 07:58 by chemisry
[¿¼ÑÐ] 294·Ö080500²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +4 ÁøÏª±ß 2026-03-26 4/200 2026-03-26 21:14 by XPUÀîÇì
[¿¼ÑÐ] ¡¾Ë«Ò»Á÷ԺУÐÂÄÜÔ´¡¢»·¾³²ÄÁÏ£¬²ÄÁϼӹ¤ÓëÄ£ÄâÕÐÊÕ´óÁ¿µ÷¼Á¡¿ +4 Higraduate 2026-03-22 8/400 2026-03-26 20:34 by Higraduate
[¿¼ÑÐ] 347Çóµ÷¼Á +4 L when 2026-03-25 4/200 2026-03-25 13:37 by cocolv
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +3 iwinso 2026-03-23 3/150 2026-03-25 11:29 by greychen00
[¿¼ÑÐ] 289²ÄÁÏÓ뻯¹¤£¨085600£©BÇøÇóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-22 5/250 2026-03-25 08:20 by mx.yue
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çóµ¼Ê¦ÊÕ +7 ÌìÌìºÃÔËÀ´Éϰ¶° 2026-03-24 7/350 2026-03-24 20:26 by peike
[¿¼ÑÐ] ²ÄÁÏר˶ÕÒµ÷¼Á +5 ¹þ¹þ¹þºðºðºð¹þ 2026-03-23 5/250 2026-03-24 19:07 by ÁËÁËÁËÁË¡£¡£
[¿¼ÑÐ] 070300»¯Ñ§Çóµ÷¼Á +9 Ô·¶¹¶¹ 2026-03-20 9/450 2026-03-24 17:15 by licg0208
[ÂÛÎÄͶ¸å] ¼±·¢ºËÐÄÆÚ¿¯ÂÛÎÄ +3 ÏÍ´ïÎʽò 2026-03-23 5/250 2026-03-23 17:13 by ÃÃ×Ó²»ºÃÈÇ
[¿¼ÑÐ] 276Çóµ÷¼Á +3 YNRYG 2026-03-21 4/200 2026-03-23 08:31 by ×íÔÚ·çÀï
[¿¼ÑÐ] 285Çóµ÷¼Á +6 ytter 2026-03-22 6/300 2026-03-22 12:09 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ºôºô£¿~+123456 2026-03-21 3/150 2026-03-21 20:04 by Î޼ʵIJÝÔ­
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û