Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions

被引:196
作者
Autschbach, Jochen [1 ]
机构
[1] SUNY Buffalo, Buffalo, NY 14260 USA
基金
美国国家科学基金会;
关键词
charge transfer; density functional calculations; excited states; quantum chemistry; time-resolved spectroscopy;
D O I
10.1002/cphc.200900268
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
[No abstract available]
引用
收藏
页码:1757 / 1760
页数:4
相关论文
共 24 条
[21]   A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP) [J].
Yanai, T ;
Tew, DP ;
Handy, NC .
CHEMICAL PHYSICS LETTERS, 2004, 393 (1-3) :51-57
[22]   Density functionals with broad applicability in chemistry [J].
Zhao, Yan ;
Truhlar, Donald G. .
ACCOUNTS OF CHEMICAL RESEARCH, 2008, 41 (02) :157-167
[23]  
ZIEGLER T, 2008, J CHEM PHYS, V129
[24]   On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments. [J].
Ziegler, Tom ;
Seth, Michael ;
Krykunov, Mykhaylo ;
Autschbach, Jochen ;
Wang, Fan .
JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (15)