±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 22776  |  »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] 284Çóµ÷¼Á +10 junqihahaha 2026-03-26 11/550 2026-03-27 01:15 by yhmsz
[¿¼ÑÐ] ʳƷ¹¤³Ìר˶Çóµ÷¼Á +3 СÕÅzxyÕÅ 2026-03-26 3/150 2026-03-27 01:14 by dgnhs
[¿¼ÑÐ] 349Çóµ÷¼Á +5 ½Ü˹ËþÀï˹ 2026-03-21 5/250 2026-03-27 00:31 by wxiongid
[¿¼ÑÐ] 333Çóµ÷¼Á +7 87639 2026-03-21 12/600 2026-03-26 22:08 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 08¿ªÍ·275Çóµ÷¼Á +3 À­Ë­²»ÖØÒª 2026-03-26 3/150 2026-03-26 20:22 by barlinike
[¿¼ÑÐ] Çóµ÷¼Á +8 Auroracx 2026-03-22 8/400 2026-03-26 19:55 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ѧ˶274Çóµ÷¼Á +3 LiÀîÓã 2026-03-26 3/150 2026-03-26 18:32 by Ìá³ö·½·¨µÄÌá³öº
[¿¼ÑÐ] 296Çóµ÷¼Á +5 www_q 2026-03-20 5/250 2026-03-26 12:56 by 3Strings
[¿¼ÑÐ] 285Çóµ÷¼Á +3 AZMK 2026-03-24 3/150 2026-03-25 12:23 by userper
[¿¼ÑÐ] 0854µç×ÓÐÅÏ¢Çóµ÷¼Á 324 +4 Promise-jyl 2026-03-23 4/200 2026-03-25 11:36 by Sugarlight
[¿¼ÑÐ] ¿¼Ñл¯Ñ§308·ÖÇóµ÷¼Á +10 ÄãºÃÃ÷ÌìÄãºÃ 2026-03-23 11/550 2026-03-25 10:23 by userper
[¿¼ÑÐ] 311Çóµ÷¼Á +3 ¶¬Ê®Èý 2026-03-24 3/150 2026-03-24 21:31 by peike
[¿¼ÑÐ] 384Çóµ÷¼Á +3 ×Óϵ²© 2026-03-22 6/300 2026-03-23 21:45 by ×Óϵ²©
[¿¼ÑÐ] Ò»Ö¾Ô¸070300Õã´ó»¯Ñ§358·Ö£¬Çóµ÷¼Á£¡ +4 ËÖËÖÓã.. 2026-03-21 4/200 2026-03-23 08:12 by Iveryant
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ»¯Ñ§070300£¬Çóµ÷¼Á +7 2117205181 2026-03-21 8/400 2026-03-22 22:55 by chixmc
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +5 Surekei 2026-03-21 5/250 2026-03-22 14:39 by tcx007
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ070300 ѧ˶336Çóµ÷¼Á +5 vvÃÔ 2026-03-21 8/400 2026-03-22 14:20 by ColorlessPI
[¿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] 085601µ÷¼Á 358·Ö +3 zzzzggh 2026-03-20 4/200 2026-03-21 10:21 by luoyongfeng
[¿¼ÑÐ] 22408 344·Ö Çóµ÷¼Á Ò»Ö¾Ô¸ »ªµç¼ÆËã»ú¼¼Êõ +4 solanXXX 2026-03-20 4/200 2026-03-20 23:49 by alg094825
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û