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北京大学 [24]

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期刊论文 [22]

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限定条件	专题：北京大学第一署名单位第一作者单位通讯作者单位

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	Localization of open-shell molecular orbitals via least change from fragments to molecule 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2017 Li, Hongyang; Liu, Wenjian; Suo, Bingbing 收藏 \| 浏览/下载：6/0 \| 提交时间：2017/12/03 HARTREE-FOCK ORBITALS ELECTRONIC-STRUCTURE CALCULATIONS CONSISTENT-FIELD METHOD BASIS-SETS AB-INITIO QUANTUM-MECHANICS WANNIER FUNCTIONS ELONGATION METHOD EFFICIENT METHOD PROGRAM PACKAGE
	Extended Calculations of Spectroscopic Data: Energy Levels, Lifetimes, and Transition Rates for O-like Ions from Cr XVII to ZnXXIII 期刊论文 ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, 2017 Wang, K.; Jonsson, P.; Ekman, J.; Gaigalas, G.; Godefroid, M. R.; Si, R.; Chen, Z. B.; Li, S.; Chen, C. Y.; Yan, J. 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/12/03 atomic data atomic processes BODY PERTURBATION-THEORY COMBINED CONFIGURATION-INTERACTION I ISOELECTRONIC SEQUENCE X-RAY-SPECTRA FLAT CRYSTAL SPECTROMETER WAVE COLLISION STRENGTHS ATOMIC-STRUCTURE PACKAGE L-SHELL IONS SOLAR-FLARE FE-XIX
	Calculations with spectroscopic accuracy for the ground configuration (3d(9)) forbidden transition in Co-like ions 期刊论文 PHYSICAL REVIEW A, 2016 Guo, X. L.; Si, R.; Li, S.; Huang, M.; Hutton, R.; Wang, Y. S.; Chen, C. Y.; Zou, Y. M.; Wang, K.; Yan, J.; Li, C. Y.; Brage, T. 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 PERTURBATION-THEORY APPROACH ATOMIC-STRUCTURE PACKAGE MAGNETIC-DIPOLE LINES STRONG COULOMB FIELD COBALT-LIKE IONS CU-LIKE IONS ZN-LIKE IONS ENERGY-LEVELS SYSTEMATIC CALCULATIONS SELF-ENERGY
	EXTENDED CALCULATIONS WITH SPECTROSCOPIC ACCURACY: ENERGY LEVELS AND TRANSITION PROPERTIES FOR THE FLUORINE-LIKE ISOELECTRONIC SEQUENCE WITH Z=24-30 期刊论文 ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, 2016 Si, R.; Li, S.; Guo, X. L.; Chen, Z. B.; Brage, T.; Jonsson, P.; Wang, K.; Yan, J.; Chen, C. Y.; Zou, Y. M. 收藏 \| 浏览/下载：3/0 \| 提交时间：2017/12/03 atomic data atomic processes PERTURBATION-THEORY APPROACH COMBINED CONFIGURATION-INTERACTION X-RAY-SPECTRA ELECTRON-IMPACT EXCITATION L-SHELL IONS F-LIKE IONS ATOMIC DATA DIELECTRONIC RECOMBINATION SYSTEMATIC CALCULATIONS LABORATORY MEASUREMENTS
	Energy levels and radiative data for Kr-like W38+ from MCDHF and RMBPT calculations 期刊论文 JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2016 Guo, XueLing; Grumer, Jon; Brage, Tomas; Si, Ran; Chen, ChongYang; Jonsson, Per; Wang, Kai; Yan, Jun; Hutton, Roger; Zou, YaMing 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/04 atomic structure atomic data energy levels lifetimes electron correlation tungsten PERTURBATION-THEORY APPROACH SYSTEMATIC CALCULATIONS CONFIGURATION-INTERACTION TRANSITION RATES ATOMIC DATA TUNGSTEN IONS PROGRAM WAVELENGTHS SPECTRA
	Energy levels and transition rates for helium-like ions with Z=10-36 期刊论文 ASTRONOMY & ASTROPHYSICS, 2016 Si, R.; Guo, X. L.; Wang, K.; Li, S.; Yan, J.; Chen, C. Y.; Brage, T.; Zou, Y. M. 收藏 \| 浏览/下载：6/0 \| 提交时间：2017/12/04 atomic data atomic processes X-RAY-EMISSION DIELECTRONIC SATELLITE SPECTRA PERTURBATION-THEORY APPROACH ELECTRON-IMPACT EXCITATION CONFIGURATION-INTERACTION CALCULATIONS LYING RESONANCE STATES MANY-BODY CALCULATIONS SOLAR-FLARE SPECTRA HYDROGEN-LIKE IRON L-SHELL IONS
	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：8/0 \| 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
	Homopyrrole and homofuran as masked 1,5-dipoles in metal-free (5+2) cycloadditions with dienophiles: a DFT study 期刊论文 tetrahedron, 2013 Cai, Pei-Jun; Shi, Fu-Qiang; Wang, Yi; Li, Xin; Yu, Zhi-Xiang 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/11 DIELS-ALDER REACTION DENSITY-FUNCTIONAL THEORY NATURAL-PRODUCT SYNTHESIS 7-MEMBERED RINGS AZOMETHINE YLIDES TRANSITION-STATE NITRILE OXIDES ENE REACTIONS HARTREE-FOCK VINYLCYCLOPROPANES
	Theoretical and numerical assessments of spin-flip time-dependent density functional theory 期刊论文 journal of chemical physics, 2012 Li, Zhendong; Liu, Wenjian 收藏 \| 浏览/下载：5/0 \| 提交时间：2015/11/12 COUPLED-CLUSTER METHODS INCLUDING TRIPLE EXCITATIONS TAMM-DANCOFF APPROXIMATION GAUSSIAN BASIS FUNCTIONS SELF-CONSISTENT-FIELD ATOMIC BASIS SETS FIRST-ROW ATOMS EXCITED-STATES MOLECULAR CALCULATIONS BOND-BREAKING
	Electronic properties of lanthanide oxides from the GW perspective 期刊论文 physical review b, 2012 Jiang, Hong; Rinke, Patrick; Scheffler, Matthias 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/13 MEAN-FIELD THEORY DENSITY-FUNCTIONAL THEORY RARE-EARTH SESQUIOXIDES TRANSITION-METAL OXIDES SPACE-TIME METHOD HARTREE-FOCK EXACT-EXCHANGE SELF-ENERGY BAND-STRUCTURE AB-INITIO

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