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An accurate ab initio potential energy curve and the vibrational bound states of state of

โœ Scribed by S. Srivastava; N. Sathyamurthy; A.J.C. Varandas

Book ID
113533155
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
495 KB
Volume
398
Category
Article
ISSN
0301-0104

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The ability of ab initio quantum-chemical methods to produce very accurate potential energy curves for van der Waals molecules is demonstrated through the calculation of the helium dimer interaction energy for a variety of internuclear distances around the van der Waals minimum (R= 5.6 bohr). At the