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zhumenjun

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ÈçÏ£ºExact polarizability: 172.439   5.849 150.441  -0.031   0.262 123.170
           Approx polarizability: 193.779   1.162 214.515  -1.779   2.195 188.267
           Molar volume = 2213.488 bohr**3/mol (197.529 cm**3/mol)
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yanmingsun18

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Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by wuy069 at 2009-12-18 17:50:
1 a.u.£¨ÄÜÁ¿£©= 1 Hartree = 27.2114 eV

Ã²ËÆ1 a.u.£¨ÄÜÁ¿£©=  27.2166 eV °É
9Â¥2009-12-20 09:07:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 13 ¸ö»Ø´ð

loovfnd

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï ¡ï ¡ï
zhumenjun(½ð±Ò+3,VIP+0):xiexie 12-18 16:15
yjcmwgk(½ð±Ò+2,VIP+0): 12-21 13:30
Molar volume = 2213.488 bohr**3/mol (197.529 cm**3/mol)
ÕⲻдÁËÂð£¿
polarizability µ¥Î» au
EHomo£¬Elumo ×îºÃÊÇ»»Ëã³ÉeV
ĪǿÇó£¡
2Â¥2009-12-18 15:33:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhumenjun

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by loovfnd at 2009-12-18 15:33:
Molar volume = 2213.488 bohr**3/mol (197.529 cm**3/mol)
ÕⲻдÁËÂð£¿
polarizability µ¥Î» au
EHomo£¬Elumo ×îºÃÊÇ»»Ëã³ÉeV

ÄÇEHomo£¬ElumoÊDz»ÊÇÒ²¿ÉÒÔÓÃhartree×öµ¥Î»ÄØ£¬ÒòΪ¶àÔª»Ø¹éµÄʱºòûÓÐ×¢Òâµ½£¬Ö±½ÓʹÓÃhartreeµÄ£¬ËùÒÔÈç¹ûÒª»»Ëã¹ýÀ´»á¶Ô¶àÔª»Ø¹é½á¹ûÓ°ÏìºÜ´ó£¬Ð»Ð»
3Â¥2009-12-18 16:17:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

G03W

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zhumenjun(½ð±Ò+1,VIP+0):xiexie 12-18 19:14
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4Â¥2009-12-18 17:40:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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