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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

Fulltext: english, pdf (109 KB) pages 1077-1085 downloads: 236* cite
APA 6th Edition
Zhang, G.P., Sun, X. & George, T.F. (2000). Kinetic Energy-Based Normal Mode Analysis of Electronic Processes in C60. Croatica Chemica Acta, 73 (4), 1077-1085. Retrieved from https://hrcak.srce.hr/131989
MLA 8th Edition
Zhang, Guo Ping, et al. "Kinetic Energy-Based Normal Mode Analysis of Electronic Processes in C60." Croatica Chemica Acta, vol. 73, no. 4, 2000, pp. 1077-1085. https://hrcak.srce.hr/131989. Accessed 4 Aug. 2021.
Chicago 17th Edition
Zhang, Guo Ping, Xin Sun and Thomas F. George. "Kinetic Energy-Based Normal Mode Analysis of Electronic Processes in C60." Croatica Chemica Acta 73, no. 4 (2000): 1077-1085. https://hrcak.srce.hr/131989
Harvard
Zhang, G.P., Sun, X., and George, T.F. (2000). 'Kinetic Energy-Based Normal Mode Analysis of Electronic Processes in C60', Croatica Chemica Acta, 73(4), pp. 1077-1085. Available at: https://hrcak.srce.hr/131989 (Accessed 04 August 2021)
Vancouver
Zhang GP, Sun X, George TF. Kinetic Energy-Based Normal Mode Analysis of Electronic Processes in C60. Croatica Chemica Acta [Internet]. 2000 [cited 2021 August 04];73(4):1077-1085. Available from: https://hrcak.srce.hr/131989
IEEE
G.P. Zhang, X. Sun and T.F. George, "Kinetic Energy-Based Normal Mode Analysis of Electronic Processes in C60", Croatica Chemica Acta, vol.73, no. 4, pp. 1077-1085, 2000. [Online]. Available: https://hrcak.srce.hr/131989. [Accessed: 04 August 2021]

Abstracts
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 Hg 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

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