| Autor: |
Fischer, Michael, Handt, Jan, Schmidt, Rüdiger |
| Jazyk: |
angličtina |
| Rok vydání: |
2014 |
| Předmět: |
|
| Zdroj: |
PHYSICAL REVIEW A, Bd. 90 (2014), Nr. 1, S. 012525, ISSN: 1094-1622 |
| Druh dokumentu: |
Článek |
| DOI: |
10.1103/PhysRevA.90.012525 |
| Popis: |
An extension of the nonadiabatic quantum molecular dynamics approach is presented to account for electron-nuclear correlations in the dynamics of atomic many-body systems. The method combines electron dynamics described within time-dependent density-functional or Hartree-Fock theory with trajectory-surface-hopping dynamics for the nuclei, allowing us to take into account explicitly a possible external laser field. As a case study, a model system of H++H collisions is considered where full quantum-mechanical calculations are available for comparison. For this benchmark system the extended surface-hopping scheme exactly reproduces the full quantum results. Future applications are briefly outlined. |
| Databáze: |
Networked Digital Library of Theses & Dissertations |
| Externí odkaz: |
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