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- Ó¦Öú: 35 (СѧÉú)
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- ³æºÅ: 96218
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sunyang1988(½ð±Ò+2):ÐÁ¿àÁË 2010-12-14 17:24:53
mouse3511(½ð±Ò+3):лл°ïÖú 2010-12-15 11:13:34
sunyang1988(½ð±Ò+2):ÐÁ¿àÁË 2010-12-14 17:24:53
mouse3511(½ð±Ò+3):лл°ïÖú 2010-12-15 11:13:34
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1(a.u.) = 1.05457168(18)¡Á10−34J⋅s(½Ç¶¯Á¿) (±ÊÕß½¨Òé¸Ã½Ç¶¯Á¿µ¥Î»ÃüÃûΪÆÕÀÊ¿Ë(Planck)) = 9.1093826(16)¡Á10−31kg = 5.4857990945(24)¡Á10−4amu(ÖÊÁ¿) (±ÊÕß½¨Òé¸ÃÖÊÁ¿µ¥Î»ÃüÃûΪÌÀÄ·É(Thomson)) = 2187691.2633(72)m/s = ¦Á⋅c(ËÙ¶È)(¦ÁΪ¾«Ï¸½á¹¹³£Êý) (±ÊÕß½¨ÒéËٶȵ¥Î»c(Õæ¿Õ¹âËÙ)ÃüÃû°®Òò˹̹(Einstein)) = 1.99285166(34)¡Á10−24kg⋅m/s(¶¯Á¿) = 1 Bohr = 5.291772108(18)¡Á10−11m(³¤¶È) = 2.418884326505(16)¡Á10−17s(ʱ¼ä) (±ÊÕß½¨Òé¸Ãʱ¼äµ¥Î»ÃüÃûΪº£É±¤(Heisenberg)) = 1 Hartree = 4.35974417(75)¡Á10−18J = 27.2113845(23)eV(ÄÜÁ¿) = 1 Hartree/Bohr = 8.238 7225(14)¡Á10−8N(Á¦) ת¸øÄãÒ»·Ý£¬±ÊÕ߷DZ¾È˹þ£¡ºÇºÇ |
2Â¥2010-12-14 16:56:48
3Â¥2010-12-15 11:16:39
donkeypku
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zzy870720z(½ð±Ò+1):ллÌáʾ 2010-12-15 14:38:07
mouse3511(½ð±Ò+7): 2010-12-16 15:36:28
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-12-15 14:38:07
mouse3511(½ð±Ò+7): 2010-12-16 15:36:28
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4Â¥2010-12-15 11:34:18
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Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+2): лл·ÖÏí 2011-04-02 14:29:23
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zzy870720z(½ð±Ò+2): лл·ÖÏí 2011-04-02 14:29:23
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time step 1 a.u. = 0.02418884326505 fs coordinates 1 Bohr = 1 a0 = 0.52917720859 A velocity 1 a.u. = 1 Bohr / 1 a.t.u. = 2187691.2541 m/s energy 1 Eh = 27.21138386 eV = 627.5094706 kcal/mol = 2625.4996251 kJ/mol plane wave cuto 1 Ry = 1/2 Eh = 13.60569193 eV dipole moment 1 a.u. = 2.5417462289 Debye atomic mass 1 a.u. = 0.00054857990943 a.m.u |
5Â¥2011-04-02 14:27:45
6Â¥2011-04-07 16:48:46
7Â¥2015-03-27 17:48:35
8Â¥2015-03-27 23:25:05
9Â¥2015-03-28 00:03:57
10Â¥2015-04-09 15:41:00
11Â¥2015-04-28 14:07:45
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12Â¥2015-09-06 16:35:28














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