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kekexiliwolf

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heyo_123(½ð±Ò+1):¹ÄÀøÓ¦Öú£¡£¡ 2010-06-21 19:02:22
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Originally posted by ·çÑ©½­É½ÂÒ at 2010-06-21 09:35:25:




Excited State   2:   Singlet-A      2.7300 eV  454.15 nm  f=0.0312
     172 ->173         0.42467
     172 ->174        -0.30717
     172 ->176         0.41066
     172 ->17 ...

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11Â¥2010-06-21 11:25:55
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12Â¥2010-06-21 14:17:19
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Originally posted by kekexiliwolf at 2010-06-21 11:25:55:



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Originally posted by ·çÑ©½­É½ÂÒ at 2010-06-21 14:17:19:
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Originally posted by ·çÑ©½­É½ÂÒ at 2010-06-21 10:49:18:
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Enter the relative weight of gaussian functions (between 0 and 1)
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14Â¥2010-06-21 14:21:51
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heyo_123(½ð±Ò+1):¹ÄÀøÓ¦Öú£¡£¡ 2010-06-21 19:02:11
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Originally posted by ·çÑ©½­É½ÂÒ at 2010-06-21 14:17:19:
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15Â¥2010-06-21 16:24:47
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heyo_123(½ð±Ò+1):¹ÄÀøÓ¦Öú£¡£¡ 2010-06-21 19:02:05
·çÑ©½­É½ÂÒ(½ð±Ò+2):xiexie 2010-06-21 19:18:42
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Originally posted by ·çÑ©½­É½ÂÒ at 2010-06-21 10:49:18:
swizardÀï
Enter the relative weight of gaussian functions (between 0 and 1)
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16Â¥2010-06-21 16:26:14
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heyo_123(½ð±Ò+1):¹ÄÀøÓ¦Öú£¡£¡ 2010-06-21 19:01:55
aylayl08(½ð±Ò+3):ллÄÍÐĽâ´ð 2010-06-21 19:02:07
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Originally posted by ·çÑ©½­É½ÂÒ at 2010-06-21 09:33:06:
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The percentage contributions to wavefunctions of excited states are given in parenthesis.

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17Â¥2010-06-21 16:29:07
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Originally posted by snoopyzhao at 2010-06-21 16:24:47:


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19Â¥2010-06-21 19:40:17
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Originally posted by snoopyzhao at 2010-06-21 19:40:17:


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