Ultrafast dissipative dynamics of vibrational degrees of freedom in molecular systems in the condensed phase are studied here. Assuming that the total system is separable into a relevant part and a reservoir, the dynamics of the relevant part can be described by means of a reduced statistical densit
Hypevirial theorem for open dynamical assemblies in the density matrix representation
✍ Scribed by Jan-Åke Schweitz
- Publisher
- John Wiley and Sons
- Year
- 1980
- Tongue
- English
- Weight
- 310 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
Abstract
The concepts of “open assembly” is defined, and the hypervirial theorem is derived in three steps: (i) An equation of motion of the reduced density matrix of the first order is derived. (ii) This equation is utilized to derive a general equation of continuity for single‐particle properties. (iii) The hypervirial equation for open assemblies is obtained as a long‐time average of the continuity equation. The hypervirial theorem is shown to be equivalent to a simple postulate: no physical property can keep on accumulating for ever in a limited volume. Finally, the hypervirial theorem is applied to the problems of force, torque, and virial balance in open dynamical assemblies, and the results are compared with the corresponding classical results.
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