On the time-dependent Hartree-Fock equations coupled with a classical nuclear dynamics

Citation
E. Cances et C. Le Bris, On the time-dependent Hartree-Fock equations coupled with a classical nuclear dynamics, MATH MOD M, 9(7), 1999, pp. 963-990
Citations number
23
Categorie Soggetti
Mathematics
Journal title
MATHEMATICAL MODELS & METHODS IN APPLIED SCIENCES
ISSN journal
02182025 → ACNP
Volume
9
Issue
7
Year of publication
1999
Pages
963 - 990
Database
ISI
SICI code
0218-2025(199910)9:7<963:OTTHEC>2.0.ZU;2-U
Abstract
We prove a global-in-time existence and uniqueness result for the Cauchy pr oblem in the setting of some model of Molecular Quantum Chemistry. The mode l we are concerned with consists of a coupling between the time-dependent H artree-Fock equations (for the electrons) and the classical Newtonian dynam ics (for the nuclei). The proof combines semigroup techniques and the Schau der fixed-point theorem. We also extend our result in order to treat the ca se of a molecule subjected to a time-dependent electric field.