The flux of an evolving wavepacket is the definite time integral of its probability current density. A new method for calculating the flux, based on a Chebychev polynomial expansion of the quantum evolution operator is presented. The central point of the development is that the time integration of t
New method for searching for neighbors in molecular dynamics computations
β Scribed by B Quentrec; C Brot
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 165 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0021-9991
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