Amal Kasry, George Tulevski, et al.
IVESC 2010
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. © 2006 Elsevier B.V. All rights reserved.
Amal Kasry, George Tulevski, et al.
IVESC 2010
Josephine B. Chang, Hiroyuki Miyazoe, et al.
Nanotechnology
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Chemical Science
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Journal of Applied Physics