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期刊论文 [29]
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Microscopic self-consistent description of induced fission dynamics: Finite-temperature effects
期刊论文
PHYSICAL REVIEW C, 2019, 卷号: 99, 页码: 014618
作者:
Zhao, Jie
;
Niksic, Tamara
;
Vretenar, Dario
;
Zhou, Shan-Gui
收藏
|
浏览/下载：11/0
|
提交时间：2019/04/02
Microscopic self-consistent description of induced fission dynamics: Finite-temperature effects
期刊论文
PHYSICAL REVIEW C, 2019, 卷号: 99, 期号: 1, 页码: 14618
作者:
Zhao, J
;
Niksic, T
;
Vretenar, D
;
Zhou, SG
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|
浏览/下载：1/0
|
提交时间：2019/07/19
HARTREE-BOGOLIUBOV THEORY
ENERGIES
BARRIER
NUCLEI
PU-240
Time-dependent generator-coordinate-method study of mass-asymmetric fission of actinides
期刊论文
PHYSICAL REVIEW C, 2019, 卷号: 99, 期号: 5, 页码: 54613
作者:
Zhao, J
;
Xiang, J
;
Li, ZP
;
Niksic, T
;
Vretenar, D
收藏
|
浏览/下载：1/0
|
提交时间：2019/07/19
HARTREE-BOGOLIUBOV THEORY
MEAN-FIELD-THEORY
DYNAMICS
BARRIER
PU-240
Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin-orbit splittings of light and heavy elements
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017
Cao, Zhanli
;
Li, Zhendong
;
Wang, Fan
;
Liu, Wenjian
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浏览/下载：5/0
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提交时间：2017/12/03
MOLECULAR QUANTUM-MECHANICS
ANO BASIS-SETS
CONFIGURATION-INTERACTION
WAVE-FUNCTIONS
FOCK-SPACE
PROGRAM PACKAGE
SHELL SYSTEMS
DENSITY
STATES
CHEMISTRY
Combining spin-adapted open-shell TD-DFT with spin-orbit coupling
期刊论文
分子物理学, 2013
Li, Zhendong
;
Suo, Bingbing
;
Zhang, Yong
;
Xiao, Yunlong
;
Liu, Wenjian
收藏
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浏览/下载：6/0
|
提交时间：2015/11/11
spin-adapted TD-DFT
spin-free X2C
spin-orbit coupling
fine structure
open-shell systems
DENSITY-FUNCTIONAL THEORY
RELATIVISTIC QUANTUM-CHEMISTRY
ORDER REGULAR APPROXIMATION
ANO BASIS-SETS
EXCITATION-ENERGIES
PROGRAM PACKAGE
EXCITED-STATES
WAVE-FUNCTIONS
CLUSTER METHOD
EXCHANGE
Theoretical study of the low-lying electronic excited states for molecular aggregates
期刊论文
science china chemistry, 2013
Shuai ZhiGang
;
Liu WenJian
;
Liang WanZhen
;
Shi Qiang
;
Chen Hui
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浏览/下载：3/0
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提交时间：2015/11/11
linear scaling TDDFT
relativistic TDDFT
excited-state dynamics theory
molecular aggregates
opto-electronic properties for organic materials
charge mobility and exciton diffusion
LOW-COST
POLYMERS
INSIGHTS
FILMS
CELLS
Theoretical study of low-lying excited states of molecular aggregates. I. Development of linear-scaling TD-DFT
期刊论文
science china chemistry, 2013
Liu WenJian
;
Ma Jing
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浏览/下载：3/0
|
提交时间：2015/11/11
linear-scaling TD-DFT
from fragments to molecule
spin-orbit coupling
renormalized excitions
fragment-based solvent model
luminsescent molecular material
DENSITY-FUNCTIONAL THEORY
QUANTUM-MECHANICAL CALCULATION
EXCITATION-ENERGIES
ORBITAL METHOD
FRACTIONATION
CAPS
Theoretical studies on the structural and spectroscopic properties of an iminocoumarin-based probe and its metal complexation: an implication for a fluorescence probe
期刊论文
dalton transactions, 2013, 卷号: 42, 期号: 36, 页码: 13004-13013
Guo YR
;
Li XR
;
Zhang MJ
;
Pan QJ
;
Sun ZM
收藏
|
浏览/下载：16/0
|
提交时间：2014/04/16
CLOSED-SHELL ATTRACTION
AUXILIARY BASIS-SETS
APPROXIMATE COULOMB POTENTIALS
INTRAMOLECULAR CHARGE-TRANSFER
PHOTOINDUCED ELECTRON-TRANSFER
DENSITY-FUNCTIONAL THEORY
EFFECTIVE CORE POTENTIALS
ZINC IONS
OFF-ON
PHOTOPHYSICAL PROPERTIES
Electronic Structures of Uranyl(VI) Carbonate Complexes in the Aqueous Phase
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2012, 卷号: 28, 页码: 792-798
作者:
Gu Jia-Fang
;
Lu Chun-Hai
;
Chen Wen-Kai
;
Chen Yong
;
Xu Ke
收藏
|
浏览/下载：5/0
|
提交时间：2019/11/21
UV-Vis
Time-dependent density functional theory
Solvent effect
Uranyl
Spin-orbit coupling relativistic effect
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