| ²é¿´: 1913 | »Ø¸´: 9 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
keyaresÌú¸Ëľ³æ (ÖøÃûдÊÖ)
|
[ÇóÖú]
Ãܶȷºº¯ÖÐPure exchange, Pure correlationºÍhybrid functionalÓ¦ÓÃÉϵÄÇø±ð
|
||
|
ÓÐÈËÄܽâ´ðÒ»ÏÂDFTÖУ¬ Pure exchange functional, Pure correlation functional and hybrid functional ÕâÈýÖÖ·ºº¯Ö®¼äµÄÇø±ðºÍ¸÷×ÔÏà¹ØµÄÓ¦ÓÃô¡£ÏëÖªµÀʲôʱºòÓô¿½»»»£¬Ê²Ã´Ê±ºòÓô¿¹ØÁª¡£ лл´óÉñ¡£ |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
¹â´ß»¯ |
» ²ÂÄãϲ»¶
Ò»Ö¾Ô¸ÎäÀí085500»úеרҵ×Ü·Ö300Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
²ÄÁÏѧÇóµ÷¼Á
ÒѾÓÐ5È˻ظ´
¿¼Ñе÷¼Á
ÒѾÓÐ4È˻ظ´
281Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
0805 316Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
085601Çóµ÷¼Á×Ü·Ö293Ó¢Ò»Êý¶þ
ÒѾÓÐ3È˻ظ´
08¹¤Ñ§µ÷¼Á
ÒѾÓÐ17È˻ظ´
340Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
311Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
ʳƷר˶ һ־Ը˫һÁ÷ 328
ÒѾÓÐ4È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
A Chemist¡¯s Guide to Density Functional Theory
ÒѾÓÐ174È˻ظ´
Äñî«Ãܶȷºº¯ÀíÂÛÖÐÎİæ(A_Bird's-Eye_View_of_Density-Functional_Theory)
ÒѾÓÐ952È˻ظ´
Éó¸åÈ˶ÔÎÒÖ»ÓÃB3LYPÓÐÒâ¼û
ÒѾÓÐ18È˻ظ´
¡¾sobereva¸öÈËÎ¿ÂÒµ¯DFT-D£¨´ÓsoberevaµÄ²©¿ÍÖÐ×ªÔØ¹ýÀ´µÄ£©
ÒѾÓÐ27È˻ظ´
¡¾ÒѾÍê³É¡¿Optical properties and density functional perturbation theory µÄ·Òë
ÒѾÓÐ50È˻ظ´
|
ÄúºÃ£¡ÎÒÔÚ×ö±ûËáµÄ´ß»¯È¼ÉÕ£¬ÏÖÔÚÒѾµÃµ½Á˽áÂÛ£¬·´Ó¦»úÀí·ûºÏÀÊçѶûÎü¸½µÈÎÂʽ£¬»ù±¾µÄ·´Ó¦¹ý³ÌÓ¦¸ÃÊÇÊ×ÏȱûËáÔÚ´ß»¯¼Á±íÃæÀ©É¢£¬Ö®ºó±ûËáÔÚ´ß»¯¼Á±íÃæÉÏÎü¸½£¬ÑõÆø´ËʱÓëÎü¸½µÄ±ûËáÔÚ´ß»¯¼Á±íÃæÉÏ·´Ó¦£¬µÃµ½µÄ²úÎïÔÚ´ß»¯¼Á±íÃæÉÏÍѸ½²¢À©É¢À뿪´ß»¯¼Á±íÃæ¡£¸Õ²Å²éÌû×Ó£¬ÓÐÈË˵µÚÒ»ÐÔÔÀí¾Í¿ÉÒÔÄ£ÄâÕâ¸ö¹ý³Ì¼ÓÒÔÑéÖ¤,µ«ÊÇÎÒÊÇÕâ·½ÃæµÄС°×£¬Ò»µã²»»á£¬Èç¹ûÕâ¸öÓõÚÒ»ÐÔÔÀí½âÊͲ»Âé·³µÄ»°£¬ÄÜ·ñ°ï¸öæ°ïÎÒŪÏ¡£ÒòΪµ¼Ê¦3Ô·ݾÍÒªÎÒ½»ÂÛÎÄÁË¡£´ßµÄ±È½Ï¼±£¬ÊµÔÚ×ßͶÎÞ·£¬Ï£Íû¿ÉÒԵõ½°ïÖú£¬Ð»Ð»£¡ |

8Â¥2015-02-20 10:01:26
beefly
ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)
µØ¹µÓÍÒ±Á¶×¨¼Ò
-

ר¼Ò¾Ñé: +458 - Ó¦Öú: 88 (³õÖÐÉú)
- ½ð±Ò: 13007.2
- É¢½ð: 27307
- ºì»¨: 300
- Ìû×Ó: 4672
- ÔÚÏß: 926.9Сʱ
- ³æºÅ: 408372
- ×¢²á: 2007-06-21
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
- ¹ÜϽ: ¼ÆËãÄ£Äâ

2Â¥2015-02-18 01:13:09
keyares
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 16 (СѧÉú)
- ¹ó±ö: 2.562
- ½ð±Ò: 5386.4
- É¢½ð: 2056
- ºì»¨: 13
- Ìû×Ó: 1454
- ÔÚÏß: 299.1Сʱ
- ³æºÅ: 702227
- ×¢²á: 2009-02-16
- רҵ: ÌìÈ»Óлú»¯Ñ§
3Â¥2015-02-18 02:14:04
keyares
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 16 (СѧÉú)
- ¹ó±ö: 2.562
- ½ð±Ò: 5386.4
- É¢½ð: 2056
- ºì»¨: 13
- Ìû×Ó: 1454
- ÔÚÏß: 299.1Сʱ
- ³æºÅ: 702227
- ×¢²á: 2009-02-16
- רҵ: ÌìÈ»Óлú»¯Ñ§
4Â¥2015-02-19 14:39:12













»Ø¸´´ËÂ¥