Znn3bq.jpeg
²é¿´: 136  |  »Ø¸´: 2
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß andy-lau µÄ 5 ¸ö½ð±Ò

andy-lau

ľ³æ (СÓÐÃûÆø)

[½»Á÷] Çë½ÌÒ»¸öÀíÂÛ֪ʶ

¸÷λʦÐÖʦ½ã£ºË­ÄܰïÎһشðÒ»ÏÂʲôÊÇKoopmanns¶¨Àí,¶¨ÀíÄÚÈÝÊÇʲô£¿ÔÚÄǸöµØ·½¿ÉÒÔÕÒµ½£¿Ð»Ð»ÁË£¡£¡£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

liuhongzeng

ľ³æ (ÕýʽдÊÖ)

ÎÒÒ²²»ÖªµÀ
2Â¥2007-09-07 18:11:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lvzhu2007

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

¡ï
fenghbu(½ð±Ò+1,VIP+0):thanks
Let me tell you:Koopmans' theorem is an approximation in molecular orbital theory, such as density functional theory, or Hartree-Fock theory, in which the first ionization energy of a molecule is equal to the energy of the highest occupied molecular orbital (the HOMO), and the electron affinity is the negative of the energy of the lowest unoccupied, i.e. virtual, orbital (the LUMO). Electron affinities calculated via Koopmans' theorem are usually quite poor. The theorem is named after Tjalling Koopmans.

[ Last edited by lvzhu2007 on 2007-9-7 at 22:03 ]
3Â¥2007-09-07 21:56:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ andy-lau µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 307ÖÐÒ½¿¼Ñе÷¼Á +9 ÓÚÒÔ²ÉÞÀ 2026-04-14 9/450 2026-04-19 08:41 by ÑÌÓêÁ÷ÑÄ
[¿¼ÑÐ] 294Çóµ÷¼Á +15 µ­È»654321 2026-04-15 15/750 2026-04-19 08:20 by cuisz
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬326ÇóÉúÎïѧµ÷¼Á +12 Áõīī 2026-04-13 12/600 2026-04-18 23:31 by ·²¡Çé
[¿¼ÑÐ] ¼±Ðèµ÷¼Á +9 ¾ø²»·ÅÆú22 2026-04-15 10/500 2026-04-18 08:09 by chixmc
[¿¼ÑÐ] 304Çóµ÷¼Á +7 castLight 2026-04-16 7/350 2026-04-17 20:05 by ¹ØÒ»ÕµµÆcd
[Óлú½»Á÷] ¶þ±½¼×ͪËáÀàÑÜÉúÎï 50+3 С°×°®Ö÷ÈË 2026-04-17 6/300 2026-04-17 18:47 by kf2781974
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó²ÄÁÏÓ뻯¹¤£¬353·Ö»¹Óе÷¼ÁѧУÂð +10 ·ñ¼«Ì©À´2026 2026-04-15 12/600 2026-04-17 17:54 by mapenggao
[¿¼ÑÐ] 295·ÖÇóµ÷¼Á +5 ?ÒªÉϰ¶? 2026-04-17 5/250 2026-04-17 16:51 by fenglj492
[»ù½ðÉêÇë] RY£ºÖйú²ú³öµÄ¿ÆÑ§À¬»øÂÛÎÄ£¬¾ø¶ÔÊýÁ¿ºÍ±ÈÀý¶¼ÊÀ½çµÚÒ» +7 zju2000 2026-04-14 18/900 2026-04-16 11:36 by »¶ÀÖËÌÒ¶Ýè
[¿¼ÑÐ] ҩѧÇóµ÷¼Á +14 à¶¹þ¼ÓÓÍ 2026-04-14 16/800 2026-04-16 10:15 by beilsong20
[¿¼ÑÐ] 289 ·Ö105500ҩѧר˶Çóµ÷¼Á(ÕÒBÇøÑ§Ð£) +4 °×ÔÆ123456789 2026-04-13 4/200 2026-04-16 00:18 by ·ÛÇßÈô³¾
[¿¼ÑÐ] Çóµ÷¼ÁѧУ +14 ²»»á³ÔÈâ 2026-04-13 16/800 2026-04-15 21:59 by noqvsozv
[¿¼ÑÐ] Ò»Ö¾Ô¸AÇø211£¬22408 321Çóµ÷¼Á +6 ËæÐÄËùÓû¡î 2026-04-15 7/350 2026-04-15 21:45 by lbsjt
[¿¼ÑÐ] 0854µ÷¼Á +13 ³¤¹­°Á 2026-04-12 16/800 2026-04-15 13:45 by fenglj492
[¿¼ÑÐ] Çóµ÷¼Á +12 ºÎÆøÕý 2026-04-13 13/650 2026-04-14 14:47 by zs92450
[¿¼ÑÐ] 105500ҩѧÇóµ÷¼Á +4 x_skys 2026-04-12 4/200 2026-04-14 13:37 by rndfc
[¿¼ÑÐ] 245Çóµ÷¼Á +6 ±ùÌÇéÙ?ÆûË® 2026-04-13 10/500 2026-04-14 10:49 by jyl0317
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +12 ×ÓľÄÅ 2026-04-12 13/650 2026-04-14 01:19 by Íõ¬Bè±
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] BÇø0809 £¬ÊýÒ»Ó¢Ò»£¬290 Çóµ÷¼Á +3 ãöΫ1111 2026-04-12 4/200 2026-04-13 20:35 by ѧԱJpLReM
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û