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aylayl08(½ð±Ò+2):¸ÐлÌÖÂÛ 2010-04-13 20:31
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Originally posted by Jldbaobei at 2010-03-05 21:25:26:
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1Â¥gaussianÊÖ²áÉÏÓÐÏêϸµÄ˵Ã÷£¬Ô­»°ÊÇ£º
There are two ways to calculate the partition function, depending on where you choose
the zero of energy to be: either the bottom of the internuclear potential energy well, or
the rst vibrational level. Which you choose depends on whether or not the contributions
arising from zero-point energy will be coputed separately or not. If they are computed
separately, then you should use the bottom of the well as your reference point, otherwise the
rst vibrational energy level is the appropriate choice.
11Â¥2010-04-13 09:37:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Jldbaobei

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Originally posted by 467266420 at 2010-04-13 09:37:26:

1Â¥gaussianÊÖ²áÉÏÓÐÏêϸµÄ˵Ã÷£¬Ô­»°ÊÇ£º
There are two ways to calculate the partition function, depending on where you choose
the zero of energy to be: either the bottom of the internuclear pot ...

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12Â¥2010-04-14 18:50:31
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