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西北高原生物研究所 [10]
近代物理研究所 [6]
北京大学 [4]
金属研究所 [1]
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期刊论文 [21]
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2017 [2]
2016 [1]
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浏览/检索结果:
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Extensive and accurate energy levels and transition rates for Al-like Zn XVIII
期刊论文
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2017, 卷号: 189, 页码: 249-257
作者:
Si, R.
;
Zhang, C. Y.
;
Liu, Y. W.
;
Chen, Z. B.
;
Guo, X. L.
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2018/05/31
Al-like Zn XVIII
Multi-configuration Dirac-Fock method
Many-body perturbation theory
Energy levels
Wavelengths
Transition rates
Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Lande grfactors in nitrogen-like Kr XXX
期刊论文
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2017, 卷号: 187, 页码: 375-402
作者:
Wang, K.
;
Li, S.
;
Jonsson, P.
;
Fu, N.
;
Dang, W.
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2018/05/31
Atomic data
N-like Kr
Multiconfiguration Dirac-Fock method
Many-body perturbation theory
The ground state and low-lying excited states of CCCN radical and its ions: a CASSCF/CASPT2 study
期刊论文
CANADIAN JOURNAL OF PHYSICS, 2016, 卷号: 94, 期号: 9, 页码: 803-807
Yu, AY
收藏
  |  
浏览/下载:15/0
  |  
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
Energy levels and transition rates for Mg-like Kr XXV
期刊论文
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2015
Si, R.
;
Guo, X. L.
;
Yan, J.
;
Li, C. Y.
;
Li, S.
;
Huang, M.
;
Chen, C. Y.
;
Zou, Y. M.
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
Mg-like Kr XXV
many-body perturbation theory
multi-configuration Dirac-Fock method
energy levels
wavelengths
transition probabilities
PERTURBATION-THEORY APPROACH
COMBINED CONFIGURATION-INTERACTION
MAGNESIUM ISOELECTRONIC SEQUENCE
HARTREE-FOCK CALCULATIONS
L-SHELL IONS
OSCILLATOR-STRENGTHS
SYSTEMATIC CALCULATIONS
JET TOKAMAK
LINES
PROBABILITIES
SDS: the 'static-dynamic-static' framework for strongly correlated electrons
期刊论文
theoretical chemistry accounts, 2014
Liu, Wenjian
;
Hoffmann, Mark R.
收藏
  |  
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 implementation of the configuration-based multi-reference second order perturbation theory
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137
作者:
Lei, Yibo
;
Wang, Yubin
;
Han, Huixian
;
Song, Qi
;
Suo, Bingbing
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2018/07/05
Ground States
Perturbation Theory
Schrodinger Equation
A spin-adapted size-extensive state-specific multi-reference perturbation theory with various partitioning schemes. II. Molecular applications
期刊论文
journal of chemical physics, 2012
Mao, Shuneng
;
Cheng, Lan
;
Liu, Wenjian
;
Mukherjee, Debashis
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
FULL CONFIGURATION-INTERACTION
COUPLED-CLUSTER THEORY
FIELD REFERENCE FUNCTION
MOLLER-PLESSET METHOD
BASIS-SET CONVERGENCE
GAUSSIAN-BASIS SETS
ELECTRONIC-STRUCTURE
CORRELATED CALCULATIONS
SYSTEMATIC SEQUENCES
DISSOCIATION-ENERGY
A spin-adapted size-extensive state-specific multi-reference perturbation schemes. I. Formal developments
期刊论文
journal of chemical physics, 2012
Mao, Shuneng
;
Cheng, Lan
;
Liu, Wenjian
;
Mukherjee, Debashis
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
COUPLED-CLUSTER THEORY
MANY-BODY PERTURBATION
INCOMPLETE MODEL SPACES
SINGLE-REFERENCE FORMALISM
APPROXIMATION-LIKE METHODS
CONSISTENT CONFIGURATION-INTERACTION
MOLECULAR ELECTRONIC-STRUCTURE
GENERALIZED MOLLER-PLESSET
FIELD REFERENCE FUNCTIONS
FULL CCSDT MODEL
Electronic structure calculations of low-lying electronic states of O-3
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 页码: 2723-2731
作者:
Han, Huixian
;
Suo, Bingbing
;
Xie, Daiqian
;
Lei, Yibo
;
Wang, Yubin
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2018/05/31
Involvement of excited triplet state in the photodissociation of cyclobutane
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2008, 卷号: 108, 页码: 788-796
作者:
Lei, Yibo
;
Suo, Bingbing
;
Li, Anyang
;
Dou, Yusheng
;
Wang, Yubin
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2018/05/31
simulation
potential energy curves
triplet intermediate
MRCISD
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