Craig R. Gregor, Eleonora Cerasoli, et al.
Journal of Biological Chemistry
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.
Craig R. Gregor, Eleonora Cerasoli, et al.
Journal of Biological Chemistry
L.N. McCartney, L. Wright, et al.
Journal of Applied Physics
Flaviu Cipcigan, V. P. Sokhan, et al.
Physical Chemistry Chemical Physics
Susan K. Allison, Simon P. Bates, et al.
Journal of Physical Chemistry B