Bulletin of the American Physical Society
APS March Meeting 2010
Volume 55, Number 2
Monday–Friday, March 15–19, 2010; Portland, Oregon
Session L23: Classical and Quantum Monte Carlo II
2:30 PM–5:06 PM,
Tuesday, March 16, 2010
Sponsoring Unit: DCOMP
Chair: Jeffery Grossman, Massachusetts Institute of Technology
Abstract ID: BAPS.2010.MAR.L23.10
Abstract: L23.00010 : Improved Calculation of Vibrational Mode Lifetimes in Anharmonic Solids*
4:18 PM–4:30 PM
Preview Abstract Abstract
We propose a formal foundation for practical calculations of vibrational mode lifetimes in solids. The approach is based on a recursion method analysis of the Liouvillian. From this we derive the lifetime of a vibrational mode in terms of moments of the power spectrum of the Liouvillian as projected onto the relevant subspace of phase space. In practical terms, the moments are evaluated as ensemble averages of well-defined operators, meaning that the entire calculation is to be done with Monte Carlo. These insights should lead to significantly shorter calculations compared to current methods.
*We acknowledge support from the DOE-EPSCoR.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2010.MAR.L23.10
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