ISSN:
1434-6079
Keywords:
31.20.D
;
34.20
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The successfully tested interaction potential of H2-H2 obtained from quantum chemical calculations (M 80) has been used again as input in the attempt of determining a fit interaction potential of the H2-H2 system. It does not only give quantitative agreement with measurements as obtained previously, but also reproduces the second virial coefficients at low temperatures, calculated via quantum mechanical pair correlation functions, as measured in several independent experiments. Since the unique determination of this fit is not possible in principle, we have chosen a final version by means of plausible estimates of the limitations of previous ab initio calculations. The new potential is included in this paper in a table. Our isotropic rigid rotor potential term will be discussed in comparisons with experimentally determined potential fits. More tests of our fit potential have already been completed and can be used for a final judgement.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01436959
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