Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time-dependent Hartree methods

被引：10
|
作者：
Alon, Ofir E. [1 ]
Streltsov, Alexej I. [2 ]
Cederbaum, Lorenz S. [2 ]
机构：
[1] Univ Haifa, Dept Phys, IL-36006 Tivon, Israel
[2] Heidelberg Univ, Inst Phys Chem, D-69120 Heidelberg, Germany
来源：
JOURNAL OF CHEMICAL PHYSICS | 2014年 / 140卷 / 03期
关键词：
WAVE-PACKET; FOCK THEORY; DYNAMICS; FIELD; ALGORITHM; MOLECULES; SYSTEMS; STATE;
D O I：
10.1063/1.4860970
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A unified view on linear response of interacting systems utilizing multiconfigurational time-dependent Hartree methods is presented. The cases of one-particle and two-particle response operators for identical particles and up to all-system response operators for distinguishable degrees-of- freedom are considered. The working equations for systems of identical bosons and identical fermions, as well for systems of distinguishable particles are explicitly derived. These linear-response theories - applicable for discrete excitation spectra - provide numerically exact excitation energies and system's properties, when numerical convergence is achieved in the calculations. (C) 2014 AIP Publishing LLC.
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页数：22
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