Analysis of energy distribution in a loaded quantum anharmonic oscillator in a wide temperature range |
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| Authors: | V L Gilyarov and A I Slutsker |
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| Institution: | (1) Department of Chemistry, Faculty of Sciences, Shahid Beheshti University G.C., Evin, 19839-63113 Tehran, Iran;(2) Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran;(3) Department of Medicinal Chemistry, Tehran University of Medicinal Sciences, Tehran, Iran |
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| Abstract: | Analysis of the energy distribution in an ensemble of quantum anharmonic oscillators loaded by an external force in a wide
temperature range (from T = 0) is carried out using a general approach based on the virial theorem. At T = 0, anharmonic effects are observed: a linear variation of zero-point energy of an oscillator under loading (energy decrease
during extension and increase under compression) and a linear variation of the average kinetic and potential energy components.
At high temperatures, at which the dynamics of the oscillators becomes classical, the anharmonic effects are manifested in
a linear variation in the vibrational energy and a linear variation in the average kinetic and potential energy components
upon an increase in force. Mutually compensating variation in the average kinetic and potential energy components of the internal
dynamic energy of an oscillator (energy redistribution upon loading) takes place both at low and high temperatures. |
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