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上海电子信息职业技... [12]

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限定条件	专题：上海电子信息职业技术学院第一署名单位第一作者单位通讯作者单位

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	Generalized Hirshfeld Partitioning with Oriented and Promoted Proatoms 期刊论文 ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: Vol.34 No.5, 页码: 514-518 作者: Ayers,PW; Heidar-Zadeh,F 收藏 \| 浏览/下载：6/0 \| 提交时间：2019/12/24 Hirshfeld partitioning Stockholder atoms in molecules Nonspherical proatoms Information theory Degenerate ground states Promoted atomic reference states Electron density Conceptual density functional theory
	The Kinetic Energy Pauli Enhancement Factor and Its Role in Determining the Shell Structure of Atoms and Molecules 期刊论文 NOVEL ELECTRONIC STRUCTURE THEORY: GENERAL INNOVATIONS AND STRONGLY CORRELATED SYSTEMS, 2018, 卷号: Vol.76, 页码: 59-78 作者: Hoggan,PE; Ludena,EV; Salazar,EX; Arroyo,D; Vallejo,J 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/12/24 DENSITY-FUNCTIONAL THEORY LOCAL-SCALING TRANSFORMATIONS ELECTRON-DENSITY DIFFERENTIAL-EQUATION EXCHANGE-ENERGY INFORMATION SYSTEMS IONS PSEUDOCONVEXITY FORMULATION
	Chemical Reactivity Description in Density-Functional and Information Theories 期刊论文 Acta Physico-Chimica Sinica, 2017, 卷号: Vol.33 No.12, 页码: 2491-2509 作者: NALEWAJSKI,RomanF 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/24 Density-functional theory Donor-acceptor system Electronegativity equalization and electron flows Information theory Markov chains Phase-equilibria
	Making a happy match between orbital-free density functional theory and information energy density 期刊论文 Chemical Physics Letters, 2015, 卷号: Vol.635, 页码: 210-212 作者: MojtabaAlipour 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/30 FISHER INFORMATION KINETIC-ENERGY HOMOGENEOUS POTENTIALS SHANNON-INFORMATION MATHEMATICAL-THEORY ELECTRON-DENSITY SYSTEMS ENTROPY ATOMS CLASSIFICATION
	Electron avoidance: A nonlocal radius for strong correlation. 期刊论文 Physical Review A: Atomic, Molecular & Optical Physics, 2014, 卷号: Vol.90 No.5A, 页码: 1-17 作者: Gori-Giorgi,Paola; Wagner,LucasO. 收藏 \| 浏览/下载：8/0 \| 提交时间：2019/12/30 ELECTRON density DENSITY functional theory QUANTUM correlations COMPUTATIONAL complexity QUANTUM information science QUANTUM confinement effects
	Spatial localization of electron pairs in molecules using the Fisher information density 期刊论文 Chemical Physics, 2014, 卷号: Vol.435, 页码: 49-56 作者: Astakhov,AndreyA.; Tsirelson,VladimirG. 收藏 \| 浏览/下载：4/0 \| 提交时间：2019/12/30 Electron pair Electron localization Density functional theory Fisher information Local electron momentum
	MEAN-FIELD ELECTRONIC STRUCTURE MODELS FOR DISORDERED MATERIALS 期刊论文 XVIIth International Congress on Mathematical Physics, 2013, 页码: 549-557 作者: M.LEWIN; É.CANCèS; S.LAHBABI 收藏 \| 浏览/下载：6/0 \| 提交时间：2020/01/04 electronic structure Random Schrödinger operators disordered crystals density functional theory Hartree-Fock theory thermodynamic limit mean-field models General Relativity Information Theory Quantum Mechanics Mathematical Physics Quantum Field Theory Stochastic Models
	Use of non-additive information measures in exploring molecular electronic structure: stockholder bonded atoms and role of kinetic energy in the chemical bond. 期刊论文 Journal of mathematical chemistry, 2010, 卷号: Vol.47 No.2, 页码: 667-691 作者: Nalewajski,RomanF. 收藏 \| 浏览/下载：3/0 \| 提交时间：2020/01/04 Contra-gradience bond criterion Density functional theory Electron localization function Information principles for subsystems Non-additive Fisher information Stockholder atoms
	Relative entropy and atomic structure 期刊论文 Journal of Molecular Structure: THEOCHEM, 2008, 卷号: Vol.857 NO.1-3, 页码: 72-77 作者: Guevara,NicolaisL.; Sagar,RobinP. 收藏 \| 浏览/下载：9/0 \| 提交时间：2020/01/13 relative entropy atomic structure shell effects in momentum space quantum capacitance DENSITY-FUNCTIONAL THEORY INFORMATION ENTROPIES MOMENTUM DENSITIES ELECTRON MOMENTUM SYSTEMS
	Uniqueness and basis set dependence of iterative Hirshfeld charges 期刊论文 Chemical Physics Letters, 2007, 卷号: Vol.444 NO.1-3, 页码: 205-208 作者: Fias,Stijn; Bultinck,Patrick; Tiels,Koen; Ayers,PaulW.; VanAlsenoy,Christian 收藏 \| 浏览/下载：8/0 \| 提交时间：2020/01/14 ELECTRONIC POPULATION ANALYSIS MOLECULAR WAVE FUNCTIONS ELECTROSTATIC POTENTIALS INFORMATION-THEORY FUNCTIONAL THEORY ATOMIC CHARGES LCAO DENSITY OVERLAP NUMBER

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