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北京大学 [48]

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期刊论文 [48]

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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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	Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2017 Suo, Bingbing; Shen, Kaiyuan; Li, Zhendong; Liu, Wenjian 收藏 \| 浏览/下载：7/0 \| 提交时间：2017/12/03 DENSITY-FUNCTIONAL THEORY MULTIREFERENCE PERTURBATION-THEORY GAUSSIAN-BASIS SETS GENERALIZED-GRADIENT-APPROXIMATION CORRELATED MOLECULAR CALCULATIONS CONFIGURATION-INTERACTION METHOD POTENTIAL-ENERGY SURFACES MODEL-SPACE COEFFICIENTS COUPLED-CLUSTER METHOD ANO BASIS-SETS
	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
	Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016 Li, Zhendong; Liu, Wenjian 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 DENSITY-FUNCTIONAL THEORY COUPLED-CLUSTER METHOD MULTIREFERENCE PERTURBATION-THEORY MOLECULAR-EXCITATION ENERGIES LINEAR-RESPONSE THEORY WAVE-FUNCTION PEPTIDE RADICALS PROGRAM PACKAGE ORBITAL THEORY SPIN-DENSITY
	Big picture of relativistic molecular quantum mechanics 期刊论文 NATIONAL SCIENCE REVIEW, 2016 Liu, Wenjian 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/12/04 relativistic quantum mechanics quantum electrodynamics relativistic Hamiltonian electron correlation magnetic property DENSITY-FUNCTIONAL THEORY COMPLEX-COORDINATE ROTATION ORDER REGULAR APPROXIMATION EXCITATION-ENERGIES NMR PARAMETERS HYLLERAAS-CI ELECTRON SYSTEMS HAMILTONIANS CHEMISTRY
	Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016 Li, Zhendong; Liu, Wenjian 收藏 \| 浏览/下载：6/0 \| 提交时间：2017/12/04 EXCHANGE-CORRELATION POTENTIALS EXCITATION-ENERGIES CONFIGURATION-INTERACTION MOLECULAR CALCULATIONS PROGRAM PACKAGE SIZE-CONSISTENT MODEL APPROXIMATION SPECTRA RADICALS
	(n,m) Assignments of Metallic Single-Walled Carbon Nanotubes by Raman Spectroscopy: The Importance of Electronic Raman Scattering 期刊论文 ACS NANO, 2016 Zhang, Daqi; Yang, Juan; Li, Meihui; Li, Yan 收藏 \| 浏览/下载：3/0 \| 提交时间：2017/12/03 single-walled carbon nanotubes electronic Raman scattering resonant Raman spectroscopy chirality assignments M-ii splitting RAYLEIGH-SCATTERING CHIRAL STRUCTURE FLUORESCENCE TRANSITIONS ABUNDANCE CATALYSTS GRAPHENE SPECTRA GROWTH MODES
	EXTENDED RELATIVISTIC CONFIGURATION INTERACTION AND MANY-BODY PERTURBATION CALCULATIONS OF SPECTROSCOPIC DATA FOR THE N <= 6 CONFIGURATIONS IN Ne-LIKE IONS BETWEEN Cr XV AND Kr XXVII 期刊论文 ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, 2016 Wang, K.; Chen, Z. B.; Si, R.; Jonsson, P.; Ekman, J.; Guo, X. L.; Li, S.; Long, F. Y.; Dang, W.; Zhao, X. H.; Hutton, R.; Chen, C. Y.; Yan, J.; Yang, X. 收藏 \| 浏览/下载：2/0 \| 提交时间：2017/12/03 atomic data atomic processes L-SHELL IONS COLLISIONAL IONIZATION EQUILIBRIUM ULTRAVIOLET IMAGING SPECTROMETER ELECTRON-IMPACT EXCITATION ATOMIC-STRUCTURE PACKAGE OPTICALLY THIN PLASMAS CORONAS-F SATELLITE ENERGY-LEVELS OSCILLATOR-STRENGTHS RATE COEFFICIENTS
	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
	CALCULATIONS WITH SPECTROSCOPIC ACCURACY: ENERGIES AND TRANSITION RATES IN THE NITROGEN ISOELECTRONIC SEQUENCE FROM Ar XII TO Zn XXIV 期刊论文 ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, 2016 Wang, K.; Si, R.; Dang, W.; Jonsson, P.; Guo, X. L.; Li, S.; Chen, Z. B.; Zhang, H.; Long, F. Y.; Liu, H. T.; Li, D. F.; Hutton, R.; Chen, C. Y.; Yan, J. 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 atomic data atomic processes BODY PERTURBATION-THEORY X-RAY-SPECTRA COMBINED CONFIGURATION-INTERACTION INNER-SHELL TRANSITIONS ULTRAVIOLET IMAGING SPECTROMETER RESOLUTION LABORATORY SPECTRA ELECTRON-IMPACT EXCITATION ANGSTROM WAVELENGTH RANGE FLAT CRYSTAL SPECTROMETER FE-XVIII-XXIV
	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

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