Title of article
A unified formalism for many-body polarization and dispersion: The quantum Drude model applied to fluid xenon
Author/Authors
Whitfield، نويسنده , , Troy W. and Martyna، نويسنده , , Glenn J.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2006
Pages
5
From page
409
To page
413
Abstract
In order to model both the full many-body polarization and dispersion interactions in atomic and molecular systems, a system of quantized Drude oscillators is introduced. The quantization is carried out using imaginary-time path integration, leading to an O ( N ) simulation method. As a test case, the model is parameterized for xenon, and is shown to give quantitative agreement with experiment over a broad range of thermodynamic state points.
Journal title
Chemical Physics Letters
Serial Year
2006
Journal title
Chemical Physics Letters
Record number
1919047
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