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科研机构
近代物理研究所 [11]
北京大学 [3]
内容类型
期刊论文 [14]
发表日期
2015 [1]
2014 [2]
2010 [1]
2009 [1]
2007 [1]
2005 [2]
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浏览/检索结果:
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Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method
期刊论文
PHYSICAL REVIEW A, 2015
Cassam-Chenai, Patrick
;
Suo, Bingbing
;
Liu, Wenjian
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
MOLECULAR-ORBITAL THEORY
DIATOMIC-MOLECULES
HYDROGEN MOLECULE
WAVE-FUNCTIONS
GROUND-STATE
PROGRAM PACKAGE
RYS POLYNOMIALS
EXCITED-STATES
ENERGY
QUADRATURES
New schemes for internally contracted multi-reference configuration interaction
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141
作者:
Wang, Yubin
;
Han, Huixian
;
Lei, Yibo
;
Suo, Bingbing
;
Zhu, Haiyan
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2018/07/05
SDS: the 'static-dynamic-static' framework for strongly correlated electrons
期刊论文
theoretical chemistry accounts, 2014
Liu, Wenjian
;
Hoffmann, Mark R.
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  |  
浏览/下载:5/0
  |  
提交时间:2015/11/10
Strongly correlated electrons
Static-dynamic-static
Minimal MRCI
Multi-state multireference perturbation theory
MULTIREFERENCE PERTURBATION-THEORY
FULL CONFIGURATION-INTERACTION
COUPLED-CLUSTER METHOD
SIZE-EXTENSIVE MODIFICATION
CONTRACTED CI METHOD
MOLECULAR CALCULATIONS
EFFECTIVE-HAMILTONIANS
WAVE-FUNCTIONS
BASIS SETS
EXCITATIONS
New Implementations of MRCI in Semiempirical Frameworks
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 页码: 1752-1758
作者:
Lei, Yibo
;
Suo, Bingbing
;
Dou, Yusheng
;
Wang, Yubin
;
Wen, Zhenyi
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2018/05/31
semiempirical methods
multireference CI
hole-particle symmetry
doubly contracted CI
Potential energy curves and interpretation of electronic spectrum of the rhodium monoxide
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 130, 页码: 5
作者:
Suo, Bingbing
;
Han, Huixian
;
Lei, Yibo
;
Zhai, Gaohong
;
Wang, Yubin
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2018/05/31
bond lengths
configuration interactions
dissociation energies
excited states
ground states
potential energy surfaces
rhodium compounds
spin-orbit interactions
visible spectra
Potential energy curves for the X-1 Sigma(+)(g), B-1 Delta(g) and B'(1) Sigma(+)(g) states of C-2 using MRCI and approximate Cl methods
期刊论文
SCIENCE IN CHINA SERIES B-CHEMISTRY, 2007, 卷号: 50, 页码: 614-619
作者:
AnYang, Ll
;
Yubin, Wang
;
YuSheng, Dou
;
ZhenYi, Wen
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2018/05/31
C-2
MRCI
potential energy curves
non-parallelilty errors
Parallelization of MRCI based on hole-particle symmetry
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2005, 卷号: 26, 页码: 88-96
作者:
Suo, B
;
Zhai, GH
;
Wang, YB
;
Wen, ZY
;
Hu, XQ
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2018/05/31
quantum chemistry
MRCISD
parallelization
hole-particle symmetry
Intel-Architectural cluster
Parallelization of MRCI based on hole-particle symmetry
期刊论文
journal of computational chemistry, 2005
Suo, B
;
Zhai, GH
;
Wang, YB
;
Wen, ZY
;
Hu, XQ
;
Li, LM
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
quantum chemistry
MRCISD
parallelization
hole-particle symmetry
Intel-Architectural cluster
MULTIREFERENCE CONFIGURATION-INTERACTION
UNITARY-GROUP-APPROACH
CONTRACTED CI METHOD
ELECTRON CORRELATION-PROBLEM
ONE-BILLION LIMIT
INTERACTION PROGRAM
IMPLEMENTATION
ALGORITHM
Doubly contracted CI method and applications
期刊论文
SCIENCE IN CHINA SERIES B-CHEMISTRY, 2004, 卷号: 47, 页码: 276-282
作者:
Wang, YB
;
Han, HX
;
Zhai, GH
;
Suo, B
;
Wen, ZY
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2018/05/31
doubly contracted CI
hole-particle symmetry
approximate MRCI
Doubly contracted CI method
期刊论文
CHEMICAL PHYSICS LETTERS, 2004, 卷号: 389, 页码: 315-320
作者:
Wang, YB
;
Suo, BB
;
Zhai, GH
;
Wen, ZY
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2018/05/31
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