CINECA IRIS Institutional Research Information System
IRIS è la soluzione IT che facilita la raccolta e la gestione dei dati relativi alle attività e ai prodotti della ricerca. Fornisce a ricercatori, amministratori e valutatori gli strumenti per monitorare i risultati della ricerca, aumentarne la visibilità e allocare in modo efficace le risorse disponibili.
EnglishA multiconfiguration time-dependent Hartree method oriented toward calculations of a non-Born-Oppenheimer nature has been applied to the calculation of the dynamical properties of a confined H atom. The calculation is fully six-dimensional and does not take into account constraints arising from linear or angular momentum conservation. The orbital evolution is monitored and the energy level spectrum of the system, as well as the dependence of the results on the decomposition of the Hamiltonian and on the correlation between radial degrees of freedom, is determined.
http://hdl.handle.net/11384/14101| Titolo: | Electronuclear multiconfiguration time-dependent hartree calculations on the confined H atom with mobile electron and nucleus |
| Autori interni: | SKOUTERIS, Dimitrios |
| Data di pubblicazione: | 2013 |
| Rivista: | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY |
| Abstract: | A multiconfiguration time-dependent Hartree method oriented toward calculations of a non-Born-Oppenheimer nature has been applied to the calculation of the dynamical properties of a confined H atom. The calculation is fully six-dimensional and does not take into account constraints arising from linear or angular momentum conservation. The orbital evolution is monitored and the energy level spectrum of the system, as well as the dependence of the results on the decomposition of the Hamiltonian and on the correlation between radial degrees of freedom, is determined. |
| Handle: | http://hdl.handle.net/11384/14101 |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
File in questo prodotto:
Copyright © 2017