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浏览/检索结果: 共9条，第1-9条 帮助 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 Impact of symmetrized and burt-foreman hamiltonians on spurious solutions and energy levels of inas/gaas quantum dots 期刊论文 Chinese physics b, 2010, 卷号: 19, 期号: 8, 页码: 9 作者:  Gu Yong-Xian;  Yang Tao;  Ji Hai-Ming;  Xu Peng-Fei;  Wang Zhan-Guo 收藏  |  浏览/下载：15/0  |  提交时间：2019/05/12 Quantum dot  Symmetrized hamiltonian  Burt-foreman hamiltonian  Finite element method  Spurious solutions   Excited States of OsO4: A Comprehensive Time-Dependent Relativistic Density Functional Theory Study 期刊论文 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 3, 页码: 532-551 作者:  Zhang, Yong;  Xu, Wenhua;  Sun, Qiming;  Zou, Wenli;  Liu, Wenjian 收藏  |  浏览/下载：13/0  |  提交时间：2019/04/09 Osmium Tetraoxide  Excited States  Time-dependent Relativistic Density Functional Theory  Exact Two-component Hamiltonian  Spin-orbit Coupling  Ccsd-lrt   Excited States of OsO4: A Comprehensive Time-Dependent Relativistic Density Functional Theory Study 期刊论文 journal of computational chemistry, 2010 Zhang, Yong; Xu, Wenhua; Sun, Qiming; Zou, Wenli; Liu, Wenjian 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/10 osmium tetraoxide  excited states  time-dependent relativistic density functional theory  exact two-component Hamiltonian  spin-orbit coupling  CCSD-LRT  VALENCE PHOTOELECTRON-SPECTRUM  VARIABLE PHOTON ENERGY  SPIN-ORBIT OPERATORS  CIS WAVE-FUNCTIONS  EXCITATION-ENERGIES  ELECTRONIC-SPECTRA  RUTHENIUM TETROXIDES  EFFECTIVE POTENTIALS  OSMIUM-TETROXIDE  PROGRAM PACKAGE   Impact of symmetrized and Burt-Foreman Hamiltonians on spurious solutions and energy levels of InAs/GaAs quantum dots 期刊论文 chinese physics b, 2010, 卷号: 19, 期号: 8, 页码: art. no. 088102 Gu YX (Gu Yong-Xian); Yang T (Yang Tao); Ji HM (Ji Hai-Ming); Xu PF (Xu Peng-Fei); Wang ZG (Wang Zhan-Guo) 收藏  |  浏览/下载：140/24  |  提交时间：2010/09/07 quantum dot  symmetrized Hamiltonian  Burt-Foreman Hamiltonian  finite element method  spurious solutions  EFFECTIVE-MASS APPROXIMATION  P THEORY   Time-dependent relativistic density functional study of Yb and YbO 期刊论文 SCIENCE IN CHINA SERIES B-CHEMISTRY, 2009, 卷号: 52, 期号: 11, 页码: 1945-1953 作者:  Xu WenHua;  Zhang Yong;  Liu WenJian 收藏  |  浏览/下载：16/0  |  提交时间：2019/04/09 Lanthanide Compound  Excited States  F-orbital Transitions  Time-dependent Relativistic Density Functional Theory  Exact Two-component Hamiltonian   Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study 期刊论文 CHEMICAL PHYSICS, 2009, 卷号: 356, 期号: 1-3, 页码: 219-228 作者:  Xu, Wenhua;  Ma, Jianyi;  Peng, Daoling;  Zou, Wenli;  Liu, Wenjian 收藏  |  浏览/下载：14/0  |  提交时间：2019/04/09 Perrhenate Anion  Excited States  Time-dependent Relativistic Density Functional Theory  Symmetrized Elimination Of The Small Component  Ccsd-lrt   Time-dependent relativistic density functional study of Yb and YbO 期刊论文 中国科学b辑 化学英文版, 2009 Xu WenHua; Zhang Yong; Liu WenJian 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/12 lanthanide compound  excited states  f-orbital transitions  time-dependent relativistic density functional theory  exact two-component Hamiltonian  EXCITED-STATES  ELECTRONIC-STRUCTURE  CORRELATION ENERGIES  EXCITATION-ENERGIES  LASER SPECTROSCOPY  PROGRAM PACKAGE  LANTHANIDE  MOLECULES  APPROXIMATION  MONOXIDES   Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study 期刊论文 化学物理学杂志, 2009 Xu, Wenhua; Ma, Jianyi; Peng, Daoling; Zou, Wenli; Liu, Wenjian; Staemmler, Volker 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/10 Perrhenate anion  Excited states  Time-dependent relativistic density functional theory  Symmetrized elimination of the small component  CCSD-LRT  MAIN-GROUP ELEMENTS  CRYSTALLINE SBRE2O6 CATALYST  SPIN-ORBIT OPERATORS  EXCITATION-ENERGIES  TRANSITION-METALS  MULTIPLE BONDS  RHENIUM OXIDE  BASIS-SETS  MOLECULAR CALCULATIONS  EFFECTIVE POTENTIALS   Making four- and two-component relativistic density functional methods fully equivalent based on the idea of "from atoms to molecule" 期刊论文 journal of chemical physics, 2007 Peng, Daoling; Liu, Wenjian; Xiao, Yunlong; Cheng, Lan 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/11 SUPERHEAVY HYDROGEN HALIDES  HARTREE-FOCK CALCULATIONS  SPIN-ORBIT  NONRELATIVISTIC METHODS  SPECTROSCOPIC CONSTANTS  CORRELATION ENERGIES  PROGRAM PACKAGE  SMALL-COMPONENT  DIRAC-EQUATION  ONE-ELECTRON