Improved virtual orbitals in perturbative calculations: the case of an average double-hole potential model

Banerjee, Manas ; Bhattacharyya, Sankar Prasad (1982) Improved virtual orbitals in perturbative calculations: the case of an average double-hole potential model Chemical Physics Letters, 90 (3). pp. 211-214. ISSN 0009-2614

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...

Related URL: http://dx.doi.org/10.1016/0009-2614(82)80027-4

Abstract

The possibility of using modified virtual orbitals generated by an average double-hole potential model in perturbative calculations of correlated potential energy curves is tested in a semi-empirical framework. Comparison is made with the results of conventional perturbative calculations.

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Deposited On:09 Oct 2010 10:15
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