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Calculations of the polarizability and hyperpolarizability of the NaH molecule including vibrational corrections

โœ Scribed by Marcello F. Costa; Tertius L. Fonseca; Orlando A.V. Amaral; Marcos A. Castro

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
54 KB
Volume
263
Category
Article
ISSN
0375-9601

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โœฆ Synopsis

In this work we present results for the dipole moment, polarizability and first hyperpolarizability of the NaH molecule obtained through the many-body perturbation-theory, coupled cluster and quadratic configuration interaction methods, including vibrational corrections. It is shown that the nuclear relaxation contribution is of fundamental importance for both polarizability and first hyperpolarizability of this system. Besides, inclusion of electron correlation effects changes appreciably the size of this contribution. In addition, our results show that the curvature contribution does not alter significantly the values obtained for the polarizability.

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