Original scientific paper

Kinetic Energy-Based Normal Mode Analysis of Electronic Processes in C₆₀

Guo Ping Zhang ; Department of Physics & Astronomy, University of Tennessee at Knoxville, Tennessee 37996, USA
Xin Sun ; Research Center for Theoretical Physics, Fudan University and National Laboratory of Infrared Physics, Academia Sinica, Shanghai 200433, China
Thomas F. George ; Office of the Chancellor / Departments of Chemistry and Physics & Astronomy, University of Wisconsin-Stevens Point, Stevens Point, Wisconsin 54481-3897, USA

Abstract

A kinetic energy-based normal-mode analysis is applied to photoinduced electronic processes in C₆₀. Due to the fact that the total kinetic energy is always a quadratic function of velocity, the expansion in normal modes is exact, in contrast to the potential-based normal-mode analysis where the total potential energy can not be exactly expanded in terms of the normal mode potentials since higher-order terms appear. This is especially true in many anharmonic relaxation processes. The calculation presented here demonstrates the appealing properties of this new scheme. In particular, the two most dominant H_g modes are identified which play an es-sential role in the dynamical properties of C₆₀, which is consistent with the experimental results. This clarifies the previous theoretical ambiguity which showed that the electron-phonon coupling constant is basically the same for different modes.

Keywords

electronic processes in C₆₀; photoinduced excitation process; kinetic energy-based analysis

Hrčak ID:

131989

URI

https://hrcak.srce.hr/131989

Publication date:

4.12.2000.

Visits: 1.035 *