15 citations · 15 across the 5 of their papers we have counts for
5 papers
Anharmonicity of vibrational modes in fullerenes
Hengjia Wang, Murray S. Daw
We report a computational study of the anharmonicity of the vibrational modes of various individual fullerenes using the "moments method" [Y. Gao and M. Daw, Modelling Simul. Mater…
Theoretical treatment of anharmonicity of vibrational modes of single-walled carbon nanotubes
Hengjia Wang, Doyl Dickel, Murray S. Daw
We report a computational study, using the "moments method" [Y. Gao and M. Daw, Modelling Simul. Mater. Sci. Eng. 23 045002 (2015)], of the anharmonicity of the vibrational modes o…
Using low moments of the Liouvillian to calculate mode lifetimes in low dimensional models
Yang Gao, Doyl Dickel, David Harrison +1
A recent proposal for practical calculation of vibrational mode lifetimes is tested on simple, low-dimensional anharmonic models. The proposed scheme approximates the mode lifetime…
Improved Calculation of Vibrational Mode Lifetimes in Anharmonic Solids - Part II: Numerical Results
Doyl Dickel, Murray S. Daw
In a two-part publication, we propose and analyze a formal foundation for practical calculations of vibrational mode lifetimes in solids. The approach is based on a recursion metho…
Improved Calculation of Vibrational Mode Lifetimes in Anharmonic Solids - Part I: Theory
Doyl Dickel, Murray S. Daw
We propose here a formal foundation for practical calculations of vibrational mode lifetimes in solids. The approach is based on a recursion method analysis of the Liouvillian. Fro…