Time-dependent density-functional theory with a self-interaction correction

被引：40

作者：

Messud, J. ^{[1
]}

Dinh, P. M. ^{[1
]}

Reinhard, P. -G. ^{[2
]}

Suraud, E. ^{[1
]}

机构：

[1] Univ Toulouse, Phys Theor Lab, IRSAMC, CNRS, F-31062 Toulouse, France

[2] Univ Erlangen Nurnberg, Inst Theoret Phys, D-91058 Erlangen, Germany

来源：

PHYSICAL REVIEW LETTERS | 2008年 / 101卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.101.096404

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We discuss an implementation of the self-interaction correction for the local-density approximation to time-dependent density-functional theory. A variational formulation is given, taking care of the necessary constraints. A manageable and transparent propagation scheme using two sets of wave functions is proposed and applied to laser excitation with subsequent ionization of a dimer molecule.

引用

页数：4

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