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Long-range interaction potential of the 3Σg+ state of He2

✍ Scribed by J. Stärck; W. Meyer

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
326 KB
Volume
225
Category
Article
ISSN
0009-2614

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✦ Synopsis

The 'Z: van der Waals potential curve of two interacting He* (2 "S) atoms has been determined from multi-reference configuration interaction calculations with an estimated accuracy of about 1%. An analytical representation is given in terms of a damped dispersion expansion and exponential exchange repulsion. The minimum of the well is found at 7.34 bohr and has a depth of 4.762 mE,, ( 1045 cm-'), i.e. considerably more than obtained in previous calculations. The dispersion attraction is complemented by binding through a significant charge transfer into the bonding region. The well supports 15 bound vibrational states.

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