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厦门大学 [4]
北京大学 [4]
近代物理研究所 [4]
物理研究所 [2]
金属研究所 [1]
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期刊论文 [17]
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2020 [1]
2016 [2]
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浏览/检索结果:
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Position and spin in relativistic quantum mechanics
期刊论文
PHYSICAL REVIEW A, 2020, 卷号: 101, 期号: 3, 页码: 19
作者:
Zou, Liping
;
Zhang, Pengming
;
Silenko, Alexander J.
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浏览/下载:13/0
  |  
提交时间:2022/01/18
Multi-configuration dirac-hartree-fock calculations of the transition rates of 2s(2)2p(2)-2s2p(3) and 2s2p(3)-2s(2)2pnl (n >= 3) e1 transitions of n+
期刊论文
Monthly notices of the royal astronomical society, 2016, 卷号: 462, 期号: 2, 页码: 1203-1214
作者:
Shen, Xiaozhi
;
Liu, Juan
;
Zhou, Fuyang
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浏览/下载:25/0
  |  
提交时间:2019/05/09
Atomic data
Line: identification
Methods: data analysis
Theoretical Study of Low-Lying Electronic States of PtX (X = F, Cl, Br, and I) Including Spin-Orbit Coupling
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 页码: 6357-6370
作者:
Zou, Wenli
;
Suo, Bingbing
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  |  
浏览/下载:14/0
  |  
提交时间:2018/05/31
On the spin separation of algebraic two-component relativistic Hamiltonians: Molecular properties
期刊论文
journal of chemical physics, 2014
Li, Zhendong
;
Xiao, Yunlong
;
Liu, Wenjian
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  |  
浏览/下载:9/0
  |  
提交时间:2015/11/11
DOUGLAS-KROLL TRANSFORMATION
QUANTUM-CHEMISTRY
MAGNETIC-PROPERTIES
ORDER
OPERATORS
EXPANSION
FORMALISM
COMPONENT
EQUATION
Ab initio many-electron study for the low-lying states of the alkali hydride cations in the adiabatic representation
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 136
作者:
Yan, Lingling
;
Qu, Yizhi
;
Liu, Chunhua
;
Wang, Jianguo
;
Buenker, Robert J.
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  |  
浏览/下载:11/0
  |  
提交时间:2018/07/05
Excited States of OsO4: A Comprehensive Time-Dependent Relativistic Density Functional Theory Study
期刊论文
journal of computational chemistry, 2010
Zhang, Yong
;
Xu, Wenhua
;
Sun, Qiming
;
Zou, Wenli
;
Liu, Wenjian
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  |  
浏览/下载:5/0
  |  
提交时间:2015/11/10
osmium tetraoxide
excited states
time-dependent relativistic density functional theory
exact two-component Hamiltonian
spin-orbit coupling
CCSD-LRT
VALENCE PHOTOELECTRON-SPECTRUM
VARIABLE PHOTON ENERGY
SPIN-ORBIT OPERATORS
CIS WAVE-FUNCTIONS
EXCITATION-ENERGIES
ELECTRONIC-SPECTRA
RUTHENIUM TETROXIDES
EFFECTIVE POTENTIALS
OSMIUM-TETROXIDE
PROGRAM PACKAGE
Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study
期刊论文
化学物理学杂志, 2009
Xu, Wenhua
;
Ma, Jianyi
;
Peng, Daoling
;
Zou, Wenli
;
Liu, Wenjian
;
Staemmler, Volker
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  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
Perrhenate anion
Excited states
Time-dependent relativistic density functional theory
Symmetrized elimination of the small component
CCSD-LRT
MAIN-GROUP ELEMENTS
CRYSTALLINE SBRE2O6 CATALYST
SPIN-ORBIT OPERATORS
EXCITATION-ENERGIES
TRANSITION-METALS
MULTIPLE BONDS
RHENIUM OXIDE
BASIS-SETS
MOLECULAR CALCULATIONS
EFFECTIVE POTENTIALS
Evaluation of basis sets with 11-electron analytic effective core potentials of gold for modeling molecular electronic devices
期刊论文
journal of physical chemistry a, 2005
Hou, SM
;
Li, R
;
Qian, ZK
;
Zhang, JX
;
Shen, ZY
;
Zhao, XY
;
Xue, ZQ
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  |  
浏览/下载:1/0
  |  
提交时间:2015/11/10
RELATIVISTIC EFFECTIVE POTENTIALS
CURRENT-VOLTAGE CURVES
SPIN-ORBIT OPERATORS
1ST-PRINCIPLES CALCULATION
TRANSPORT-PROPERTIES
CONDUCTANCE
DENSITY
JUNCTIONS
ENERGY
AU
Theoretical investigation of F-19 NMR chemical shielding of alkaline-earth-metal and alkali-metal fluorides
期刊论文
http://dx.doi.org/10.1021/jp013503f, 2002
Cai, S. H.
;
Chen, Z.
;
Wan, H. L.
;
万惠霖
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  |  
浏览/下载:1/0
  |  
提交时间:2013/12/12
DENSITY-FUNCTIONAL THERMOCHEMISTRY
RELATIVISTIC EFFECTIVE POTENTIALS
SPIN-ORBIT OPERATORS
AB-INITIO
SHIFTS CALCULATIONS
CORRELATION-ENERGY
EXACT-EXCHANGE
ELECTRON-GAS
BASIS-SETS
DFT-GIAO
Theoretical investigation of F-19 NMR chemical shielding of alkaline-earth-metal and alkali-metal fluorides
期刊论文
http://dx.doi.org/10.1021/jp013503f, 2002
Cai, S. H.
;
Chen, Z.
;
Wan, H. L.
;
蔡淑惠
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  |  
浏览/下载:3/0
  |  
提交时间:2013/12/12
DENSITY-FUNCTIONAL THERMOCHEMISTRY
RELATIVISTIC EFFECTIVE POTENTIALS
SPIN-ORBIT OPERATORS
AB-INITIO
SHIFTS CALCULATIONS
CORRELATION-ENERGY
EXACT-EXCHANGE
ELECTRON-GAS
BASIS-SETS
DFT-GIAO
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