Open Physics
(Sep 2013)
Nonadiabatic ab initio molecular dynamics using linear-response time-dependent density functional theory
- Curchod Basile,
- Penfold Thomas,
- Rothlisberger Ursula,
- Tavernelli Ivano
Affiliations
- Curchod Basile
- Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015, Lausanne, Switzerland
- Penfold Thomas
- Rothlisberger Ursula
- Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015, Lausanne, Switzerland
- Tavernelli Ivano
- Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015, Lausanne, Switzerland
- DOI
-
https://doi.org/10.2478/s11534-013-0321-2
- Journal volume & issue
-
Vol. 11,
no. 9
pp.
1059
– 1065
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