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北京大学 [13]

化学研究所 [6]

物理研究所 [2]

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期刊论文 [21]

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	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 收藏 \| 浏览/下载：5/0 \| 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
	Relativistic GVVPT2 Multireference Perturbation Theory Description of the Electronic States of Y-2 and Tc-2 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 期号: 8, 页码: 1489-1501 作者: Tamukong, Patrick K.; Hoffmann, Mark R.; Li, Zhendong; Liu, Wenjian 收藏 \| 浏览/下载：9/0 \| 提交时间：2019/04/09
	Perspective: Relativistic Hamiltonians 期刊论文国际量子化学杂志, 2014 Liu, Wenjian 收藏 \| 浏览/下载：5/0 \| 提交时间：2015/11/10 molecular QED relativistic Hamiltonian no-pair approximation four-component exact two-component QUANTUM-CHEMISTRY EQUATION FORMALISM
	Advances in relativistic molecular quantum mechanics 期刊论文 physics reports review section of physics letters, 2014 Liu, Wenjian 收藏 \| 浏览/下载：7/0 \| 提交时间：2015/11/10 Quantum electrodynamics Virtual pair effects Electron self-energy Electron vacuum polarization Charge conjugation symmetry Charge-conjugated contraction No-pair approximation Relativistic Hamiltonians Quasi-four-component Exact two-component Relativistic wave functions Relativistic coalescence conditions Relativistic explicit correlations Relativistic theory of nuclear magnetic resonance Relativistic theory of nuclear spin-rotation DENSITY-FUNCTIONAL THEORY COMPLEX-COORDINATE ROTATION CORRELATED WAVE-FUNCTIONS MEAN-FIELD APPROXIMATION ELECTRON-POSITRON FIELD NMR CHEMICAL-SHIFTS CLOSED-SHELL ATOMS BASIS-SET NONRELATIVISTIC METHODS DIRAC-EQUATION
	Relativistic GVVPT2 Multireference Perturbation Theory Description of the Electronic States of Y-2 and Tc-2 期刊论文 journal of physical chemistry a, 2014 Tamukong, Patrick K.; Hoffmann, Mark R.; Li, Zhendong; Liu, Wenjian 收藏 \| 浏览/下载：2/0 \| 提交时间：2015/11/11 TRANSITION-METAL ATOMS RARE-GAS MATRICES ANO BASIS-SETS SPIN-RESONANCE GROUND-STATE TECHNETIUM DIMERS SPECTROSCOPY MOLECULES MANGANESE
	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 收藏 \| 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
	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 \| 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
	On the spin separation of algebraic two-component relativistic Hamiltonians 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137, 期号: 15 作者: Li, Zhendong; Xiao, Yunlong; Liu, Wenjian 收藏 \| 浏览/下载：14/0 \| 提交时间：2019/04/09 Dirac Equation Matrix Algebra Quantum Chemistry Relativistic Corrections Renormalisation
	Strong thermalization of the two-component Bose-Hubbard model at finite temperatures 期刊论文 PHYSICAL REVIEW A, 2012, 卷号: 85, 期号: 1 Zhang, JM; Shen, C; liu, WM 收藏 \| 浏览/下载：21/0 \| 提交时间：2013/09/24 QUANTUM-SYSTEMS STATISTICAL-MECHANICS CHAOS
	On the spin separation of algebraic two-component relativistic Hamiltonians 期刊论文 journal of chemical physics, 2012 Li, Zhendong; Xiao, Yunlong; Liu, Wenjian 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/12 Dirac equation matrix algebra quantum chemistry relativistic corrections renormalisation DOUGLAS-KROLL TRANSFORMATION ORDER REGULAR APPROXIMATION ZETA BASIS-SETS QUANTUM-CHEMISTRY PROGRAM PACKAGE TRIPLE-ZETA 6P ELEMENTS ELIMINATION EXPANSION EQUATION

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