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Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions
被引:196
作者
:
Autschbach, Jochen
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY Buffalo, Buffalo, NY 14260 USA
SUNY Buffalo, Buffalo, NY 14260 USA
Autschbach, Jochen
[
1
]
机构
:
[1]
SUNY Buffalo, Buffalo, NY 14260 USA
来源
:
CHEMPHYSCHEM
|
2009年
/ 10卷
/ 11期
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
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Sichuan Univ, Coll Chem, Chengdu 610064, Sichuan, Peoples R China
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Wang, Fan
.
JOURNAL OF CHEMICAL PHYSICS,
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130
(15)
←
1
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共 24 条
[21]
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
[J].
Yanai, T
论文数:
0
引用数:
0
h-index:
0
机构:
Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA
Yanai, T
;
Tew, DP
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0
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0
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Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA
Tew, DP
;
Handy, NC
论文数:
0
引用数:
0
h-index:
0
机构:
Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA
Handy, NC
.
CHEMICAL PHYSICS LETTERS,
2004,
393
(1-3)
:51
-57
[22]
Density functionals with broad applicability in chemistry
[J].
Zhao, Yan
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA
Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
Zhao, Yan
;
Truhlar, Donald G.
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0
引用数:
0
h-index:
0
机构:
Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA
Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
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
论文数:
0
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Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada
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;
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Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada
Autschbach, Jochen
;
Wang, Fan
论文数:
0
引用数:
0
h-index:
0
机构:
Sichuan Univ, Coll Chem, Chengdu 610064, Sichuan, Peoples R China
Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada
Wang, Fan
.
JOURNAL OF CHEMICAL PHYSICS,
2009,
130
(15)
←
1
2
3
→