²é¿´: 2082  |  »Ø¸´: 7
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û5´Î£¬×÷Õßxinyezi1980Ôö¼Ó½ð±Ò 4.6 ¸ö

xinyezi1980

ľ³æ (ÕýʽдÊÖ)


[×ÊÔ´] ¡¾·ÖÏí¡¿·ÖÏíFPLOÅàѵ½Ì²Ä¡¢Ïêϸ²Ù×÷Ö¸ÄÏ¡¢Ó¦ÓÃʵÀý¡¢Ïêϸ½éÉܼ°Óû§ÊÖ²á

³õѧÕß·ÖÏí£¬Ï£ÍûÄܶÔѧFPLOµÄ³æÓÑÃÇÓÐËù°ïÖú£¬ºÇºÇ
FPLOÓ¦ÓÃʵÀý£ºhttp://d.namipan.com/d/26c72e3ee ... 925cd30901b05a10200
FPLOÏêϸ½éÉÜ£º
http://d.namipan.com/d/0012f2327 ... b705f279a78b7072400
FPLOÅàѵ½Ì³Ì£º
http://d.namipan.com/d/a59946664 ... 45e46b6f0a9d8751000
FPLOÏêϸ²Ù×÷Ö¸ÄÏ£º
http://d.namipan.com/d/e2900e3d7 ... 99aa4c5d62938360a00
FPLOÓû§Êֲ᣺
http://d.namipan.com/d/18ef2d151 ... 3dff04dc38038bd0200
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

лл·ÖÏí
¸Õ²ÅgoogleÏÂ

FPLOÊÇÍêÈ«ÊÆ¾ÖÓò¹ìµÀ×îС»ù´úÂ룬ÓþÖÓò×ÔÐýÃܶȽüËÆ(LSDA)Çó½â¹æÔò¸ñ×ÓµÄKohn-Sham·½³Ì¡£¿ÉÒÔ½øÐÐËÄ·ÖÁ¿Ïà¶ÔÂÛÇó½â£¬ÒÔ¼°½øÐÐLSDA+U¼ÆËã¡£ËäÈ»³ÌÐòµÄ»ù×éСÁËÒ»¸öÊýÁ¿¼¶£¬µ«ÊÇ¿ÉÒÔ»ñµÃÓëÍêÈ«ÊÆLAPW½Ó½üµÄÊýÖµ¾«¶È¡£ÌرðÊǼÆËãµÄ×ÜÄÜÁ¿¾ø¶ÔÖµÓëWIEN 97µÄ·ûºÏ³Ì¶ÈÔÚ1 mHartreeÒÔÄÚ¡£ÓÉÓÚFPLOʹÓÃÁË×îС»ù£¬Òò´ËËü¿ÉÒÔ¶Ô°üº¬Ò»°Ù¸ö¹ý¶É½ðÊôÔ­×ӵľ§°û½øÐи߾«¶ÈµÄÍêÈ«ÊÆ¼ÆËã¡£FPLO°üº¬Í¼ÐνçÃæµÄÊäÈëÎļþ±à¼­Æ÷£¬3D½á¹¹¹¤¾ßºÍ½á¹ûÏÔʾ¹¤¾ß¡£
2Â¥2010-06-13 14:11:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xinyezi1980

ľ³æ (ÕýʽдÊÖ)


ÎÒÓÐûÓÐÕâ¸öÈí¼þ£¬Ò²ÏëÕÒ×ÊÔ´ÏÂÔØÄØ£¬ºÇºÇ
3Â¥2010-06-28 08:24:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ººÍõÖØ³ö½­ºþ

ľ³æ (ÖøÃûдÊÖ)


Ì«ºÃÁË£¬Ð»Ð»·ÖÏí¡£

[ Last edited by ººÍõÖØ³ö½­ºþ on 2010-6-29 at 09:46 ]
5Â¥2010-06-29 09:44:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

weixp2008

ľ³æ (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Â¥Ö÷£¬ÎÒµÄqq:944548281Çë½Ì¸öÎÊÌâ
6Â¥2010-08-25 17:00:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÏÄÓê616

гæ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Ôõô´ò²»¿ª°¡
7Â¥2013-12-20 21:11:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

RunLeung

гæ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

×ÊÔ´¶¼Ã»ÓÐÁ˰¥
8Â¥2016-03-25 06:59:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
lvjian85964Â¥
2010-06-28 09:30   »Ø¸´  
 Ð»Ð»·ÖÏí
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xinyezi1980 µÄÖ÷Ìâ¸üÐÂ
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] [¸´ÊÔµ÷¼Á]Î÷ÄϿƼ¼´óѧ¹ú·À/²ÄÁϵ¼Ê¦ÍƼö +3 ¼â½ÇСºÉ 2026-03-16 6/300 2026-03-16 23:21 by ¼â½ÇСºÉ
[¿¼ÑÐ] 211±¾£¬11408Ò»Ö¾Ô¸ÖпÆÔº277·Ö£¬ÔøÔÚÖпÆÔº×Ô¶¯»¯Ëùʵϰ +3 Losir 2026-03-12 4/200 2026-03-16 21:52 by Losir
[¿¼ÑÐ] 0854¿ØÖƹ¤³Ì 359Çóµ÷¼Á ¿É¿çרҵ +3 626776879 2026-03-14 9/450 2026-03-16 17:42 by 626776879
[¿¼ÑÐ] Áº³ÉΰÀÏʦ¿ÎÌâ×é»¶Ó­ÄãµÄ¼ÓÈë +8 һѼѼӴ 2026-03-14 9/450 2026-03-16 17:35 by ãåÁØ12138
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-14 3/150 2026-03-16 16:39 by houyaoxu
[¿¼ÑÐ] 311Çóµ÷¼Á +5 26ÑÐ0 2026-03-15 5/250 2026-03-16 16:21 by a²»Ò×
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 290Çóµ÷¼Á +5 ¿×Ö¾ºÆ 2026-03-12 10/500 2026-03-16 09:01 by ÓàêÍ&
[¿¼ÑÐ] 274Çóµ÷¼Á +4 ʱ¼äµã 2026-03-13 4/200 2026-03-15 15:29 by Rambo13
[¿¼ÑÐ] 297Ò»Ö¾Ô¸ÉϽ»085600Çóµ÷¼Á +5 Ö¸¼â°ËǧÀï 2026-03-14 5/250 2026-03-14 17:26 by a²»Ò×
[¿¼ÑÐ] 307Çóµ÷¼Á +7 ³¬¼¶ÒÁ°º´óÍõ 2026-03-10 7/350 2026-03-14 00:49 by JourneyLucky
[¿¼ÑÐ] 312Çóµ÷¼Á +6 İå·Ï£ 2026-03-10 6/300 2026-03-14 00:40 by JourneyLucky
[¿¼ÑÐ] 311Çóµ÷¼Á +8 zchqwer 2026-03-10 8/400 2026-03-14 00:01 by JourneyLucky
[¿¼ÑÐ] 290Çóµ÷¼Á +7 ADT 2026-03-12 7/350 2026-03-13 15:17 by JourneyLucky
[¿¼ÑÐ] 070303Ò»Ö¾Ô¸Î÷±±´óѧѧ˶310ÕÒµ÷¼Á +3 dÈçÔ¸Éϰ¶ 2026-03-13 3/150 2026-03-13 10:43 by houyaoxu
[¿¼ÑÐ] ²ÄÁÏר˶274Ò»Ö¾Ô¸ÉÂÎ÷ʦ·¶´óѧÇóµ÷¼Á +4 Ñ¦ÔÆÅô 2026-03-13 4/200 2026-03-13 10:40 by ѧԱ8dgXkO
[¿¼ÑÐ] 085602»¯¹¤Çóµ÷¼Á +7 ¶­boxing 2026-03-10 7/350 2026-03-10 17:07 by BruceLiu320
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +3 Èýdd. 2026-03-10 3/150 2026-03-10 15:45 by peike
[˶²©¼ÒÔ°] ľ³æºÃÏñ²»ÈÈÄÖÁË£¬ÊDz»ÊÇ£¿ +4 Æ«ÕñƬ 2026-03-10 4/200 2026-03-10 09:51 by longwave
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û