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
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
Journal title :
Chemical Physics Letters