Self-Interaction Correction as a Kohn-Sham Scheme in Ground-State and Time-Dependent Density Functional Theory

被引:7
|
作者
Kuemmel, Stephan [1 ]
机构
[1] Univ Bayreuth, Theoret Phys 4, Bayreuth, Germany
来源
ADVANCES IN ATOMIC, MOLECULAR, AND OPTICAL PHYSICS, VOL 64 | 2015年 / 64卷
关键词
POLARIZABILITIES;
D O I
10.1016/bs.aamop.2015.06.006
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
In this chapter, the Kohn-Sham variant of the self-interaction correction, i.e., SIC with one global multiplicative potential that is the same for all orbitals, is discussed. Two concepts of unifying the SIC with the optimized effective potential approach are reviewed. The strengths that Kohn-Sham SIC develops in particular in the time-dependent regime, e.g., in describing charge-transfer and optical excitations, are highlighted. Kohn-Sham SIC emerges as one of the density functional theory approaches that allows for tackling the long-standing problem of describing long-range charge-transfer phenomena correctly.
引用
收藏
页码:143 / 151
页数:9
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