QQ客服 官方微博 反馈留言

浏览/检索结果: 共8条，第1-8条 帮助 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     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 iCI: Iterative CI toward full CI 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016 Liu, Wenjian; Hoffmann, Mark R. 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 COUPLED-CLUSTER THEORY  MULTIREFERENCE PERTURBATION-THEORY  CONFIGURATION-INTERACTION METHOD  MANY-BODY PERTURBATION  GENERALIZED MOLLER-PLESSET  EXACT WAVE-FUNCTION  ELECTRON-PAIR APPROXIMATION  SIZE-EXTENSIVE MODIFICATION  MODEL-SPACE COEFFICIENTS  VALENCE-BOND METHOD   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   Relativistic many-body calculations on wavelengths and transition probabilities for forbidden transitions within the 3d(k) ground configurations in Co- through K-like ions of hafnium, tantalum, tungsten and gold 期刊论文 JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2015 Guo, X. L.; Huang, M.; Yan, J.; Li, S.; Si, R.; Li, C. Y.; Chen, C. Y.; Wang, Y. S.; Zou, Y. M. 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 second-order relativistic many-body perturbation theory  wavelengths and transition probabilities  Co-through K-like ions of hafnium  tantalum  tungsten and gold  L-SHELL IONS  ZN-LIKE IONS  X-RAY  ENERGY-LEVELS  CU-LIKE  PERTURBATION  FUSION  FE  SPECTRA  LINES   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：7/0  |  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   FHI-gap: A GW code based on the all-electron augmented plane wave method 期刊论文 计算机物理学通讯, 2013 Jiang, Hong; Gomez-Abal, Ricardo I.; Li, Xin-Zheng; Meisenbichler, Christian; Ambrosch-Draxl, Claudia; Scheffler, Matthias 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 Many-body perturbation theory  GW approach  LAPW method  Quasi-particles  BRILLOUIN-ZONE INTEGRATIONS  DENSITY-FUNCTIONAL THEORY  SPACE-TIME METHOD  LATTICE SUMS  LDA+U METHOD  SELF-ENERGY  EXCHANGE  SEMICONDUCTORS  SYSTEMS  SOLIDS   The Band Gap Problem: the State of the Art of First-Principles Electronic Band Structure Theory 期刊论文 化学进展, 2012 Hong, Jiang 收藏  |  浏览/下载：6/0  |  提交时间：2015/11/13 electronic band structure  the band gap problem  density-functional theory  generalized Kohn-Sham  Green&apos  many-body perturbation theory  GW approximation  DENSITY-FUNCTIONAL THEORY  EXACT-EXCHANGE  DERIVATIVE DISCONTINUITIES  HYBRID FUNCTIONALS  GREENS-FUNCTION  SELF-ENERGY  GW METHOD  THERMOCHEMISTRY  SEMICONDUCTORS  APPROXIMATION  s function   A spin-adapted size-extensive state-specific multi-reference perturbation schemes. I. Formal developments 期刊论文 journal of chemical physics, 2012 Mao, Shuneng; Cheng, Lan; Liu, Wenjian; Mukherjee, Debashis 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10 COUPLED-CLUSTER THEORY  MANY-BODY PERTURBATION  INCOMPLETE MODEL SPACES  SINGLE-REFERENCE FORMALISM  APPROXIMATION-LIKE METHODS  CONSISTENT CONFIGURATION-INTERACTION  MOLECULAR ELECTRONIC-STRUCTURE  GENERALIZED MOLLER-PLESSET  FIELD REFERENCE FUNCTIONS  FULL CCSDT MODEL   GW方法:基本原理,最新进展及其在d-和f-电子体系中的应用(英文) 其他 2010-01-01 蒋鸿 收藏  |  浏览/下载：4/0  |  提交时间：2015/10/24 多体微扰理论  GW近似  准粒子电子结构  d/f-电子体系  强关联电子体系  Many-body perturbation theory  GW approximation  Quasi-particle electronic band structure  d/f-electron systems  Strongly correlated electron system