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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
化学研究所 [3]
金属研究所 [1]
高能物理研究所 [1]
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OAI收割 [5]
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期刊论文 [5]
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2016 [1]
2008 [1]
2007 [2]
2006 [1]
学科主题
Physics [1]
Physics, M... [1]
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The ground state and low-lying excited states of CCCN radical and its ions: a CASSCF/CASPT2 study
期刊论文
OAI收割
CANADIAN JOURNAL OF PHYSICS, 2016, 卷号: 94, 期号: 9, 页码: 803-807
Yu, AY
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2016/12/28
CCCN radical
ground state
low-lying excited states
complete active space self-consistent field
multi-configuration second-order perturbation theory
Theoretical study on potential energy curves and spectroscopy properties of ground and low-lying excited electronic states of BrCl(+)
期刊论文
OAI收割
SCIENCE IN CHINA SERIES B-CHEMISTRY, 2008, 卷号: 51, 期号: 6, 页码: 521-528
作者:
Wang MingWei
;
Wang BingWu
;
Chen ZhiDa
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/04/09
Brcl(+)
Ab Initio Mrci(Sd) Plus q Method
Spin-orbit Coupling
Low-lying Excited State
Potential Energy Curves
Unusual ferromagnetic coupling interaction in carboxylato-bridged Mn(II) complexes: Ab initio MRCI(SD) and DFT theoretical studies
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 卷号: 816, 期号: 1-3, 页码: 103-108
作者:
Wang, Mingwel
;
Wang, Bingwu
;
Chen, Zhida
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2019/04/09
Magnetic Coupling
Mn(Ii)-containing Dimer
Ab Initio Mrci(Sd) Plus q
Dft Broken-symmetry
Low-lying Excited State
Theoretical study on ground and low-lying excited electronic states of BrCl: Ab initio MRCI(SD)+Q calculations
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 卷号: 806, 期号: 1-3, 页码: 187-195
作者:
Wang, Mingwei
;
Wang, Bingwu
;
Chen, Zhida
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/04/09
Ab Initio Mrci
Low-lying Excited State
Potential Energy Curves
Spin-orbit Coupling
Brcl
Iterative solutions for low lying excited states of a class of Schrodinger equation
期刊论文
OAI收割
CHINESE PHYSICS, 2006, 卷号: 15, 期号: 9, 页码: 1909-1913
作者:
Friedberg, R
;
Lee, TD
;
Zhao WQ(赵维勤)
;
Zhao, WQ
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  |  
浏览/下载:23/0
  |  
提交时间:2016/06/29
iterative solution
low-lying excited state
convergence