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

被引:42
作者
Cancès, E [1 ]
Le Bris, C [1 ]
机构
[1] Ecole Natl Ponts & Chaussees, CERMICS, F-75455 Champs Sur Marne, France
关键词
D O I
10.1142/S0218202599000440
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
We prove a global-in-time existence and uniqueness result for the Cauchy problem in the setting of some model of Molecular Quantum Chemistry. The model we are concerned with consists of a coupling between the time-dependent Hartree-Fock equations (for the electrons) and the classical Newtonian dynamics (for the nuclei). The proof combines semigroup techniques and the Schauder fixed-point theorem. We also extend our result in order to treat the case of a molecule subjected to a time-dependent electric field.
引用
收藏
页码:963 / 990
页数:28
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