Title of article :
Extension of the perturbed matrix method: application to a water molecule
Author/Authors :
Spezia، نويسنده , , Riccardo and Aschi، نويسنده , , Massimiliano and Di Nola، نويسنده , , Alfredo and Amadei، نويسنده , , Andrea، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Pages :
7
From page :
450
To page :
456
Abstract :
In this Letter we extend the perturbed matrix method by explicitly including the nuclear degrees of freedom and showing how to treat a non-homogeneous electric field. In a previous Letter we showed that this method provides reliable perturbed energies. In the present Letter we evaluate a more sophisticated property such as molecular polarizability for a water molecule.
Journal title :
Chemical Physics Letters
Serial Year :
2002
Journal title :
Chemical Physics Letters
Record number :
1782398
Link To Document :
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