Title of article :
Vibrational contributions to the static polarizability and hyperpolarizability of the NaF and NaCl molecules
Author/Authors :
Andrade، نويسنده , , Ormezindo P and Aragمo، نويسنده , , Adriano and Amaral، نويسنده , , Orlando A.V and Fonseca، نويسنده , , Tertius L and Castro، نويسنده , , Marcos A، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Pages :
6
From page :
270
To page :
275
Abstract :
In this work we report calculations of vibrational contributions to the static dipole polarizability and hyperpolarizability of the NaF and NaCl alkali metal halides. Results of the calculations obtained independently by means of the finite field and perturbation theory methods, at the Hartree–Fock, Möller–Plesset and coupled cluster levels, are in very good agreement and show that inclusion of the vibrational correction effects is an essential requisite in order to obtain reliable results for static electric properties of these molecules.
Journal title :
Chemical Physics Letters
Serial Year :
2004
Journal title :
Chemical Physics Letters
Record number :
1785016
Link To Document :
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