## Abstract Within the activities of the D37 COST Action, we have further developed the quantum dynamics framework of the grid empowered molecular simulator (GEMS) implemented on the segment of the European grid available to the COMPCHEM (computational chemistry) virtual organization. GEMS does now
Extension of the quantum virial and Hellmann–Feynman theorems to the quantum statistical averages
✍ Scribed by Dušan Popov
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 155 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
In the present article, we extended the quantum virial and Hellmann᎐Feynman theorems to the quantum statistical averages, that is, to the thermal states. We obtained some new formulas which make possible expressing the thermodynamical observables of the system as functions of the moments of coordinates, as we see in a short example relating to the pseudoharmonical oscillator.
📜 SIMILAR VOLUMES
A general formulation for discrete-time quantum mechanics, based on Feynman's method in ordinary quantum mechanics, is presented. It is shown that the ambiguities present in ordinary quantum mechanics (due to noncommutativity of the operators), are no longer present here. Then the criteria for the u