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浏览/检索结果: 共6条，第1-6条 帮助 限定条件 专题：厦门大学    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 Electronic levels and electrical response of periodic molecular structures from plane-wave orbital-dependent calculations 期刊论文 http://dx.doi.org/10.1103/PhysRevB.84.155127, 2011 Li, Yanli; Dabo, Ismaila; 李艳丽 收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22 DENSITY-FUNCTIONAL APPROXIMATIONS  TOTAL-ENERGY CALCULATIONS  LONG-RANGE INTERACTIONS  AB-INITIO  HARTREE-FOCK  BOUNDARY-CONDITIONS  EXACT EXCHANGE  SYSTEMS  CHAINS  POLARIZABILITIES   Dispersion-Corrected Energy Decomposition Analysis for Intermolecular Interactions Based on the BLW and dDXDM Methods 期刊论文 2011 Steinmann, Stephan N.（ Ecole Polytech Fed Lausanne, Inst Sci & Ingenierie Chim）; Corminboeuf, Clemence（ Ecole Polytech Fed Lausanne, Inst Sci & Ingenierie Chim）; Wu, Wei; 吴玮; Mo, Yirong（ Western Michigan Univ, Dept Chem） 收藏  |  浏览/下载：3/0  |  提交时间：2012/03/05 Elastic properties and electronic structures of CdCNi3: A comparative study with MgCNi3 期刊论文 http://dx.doi.org/10.1016/j.solidstatesciences.2008.04.024, 2009 Wu, S. Q.; Hou, Z. F.; Zhu, Z. Z.; 朱梓忠 收藏  |  浏览/下载：3/0  |  提交时间：2013/12/12 DENSITY-FUNCTIONAL APPROXIMATIONS  PEROVSKITE SUPERCONDUCTOR MGCNI3  TOTAL-ENERGY CALCULATIONS  WAVE BASIS-SET  PHYSICAL-PROPERTIES  CONSTANTS  PRESSURE  CRYSTALS  STATE   Elastic properties and electronic structures of CdCNi3: A comparative study with MgCNi3 期刊论文 http://dx.doi.org/10.1016/j.solidstatesciences.2008.04.024, 2009 Wu, SQ; Hou, ZF; Zhu, ZZ; 吴顺情 收藏  |  浏览/下载：1/0  |  提交时间：2013/12/12 DENSITY-FUNCTIONAL APPROXIMATIONS  PEROVSKITE SUPERCONDUCTOR MGCNI3  TOTAL-ENERGY CALCULATIONS  WAVE BASIS-SET  PHYSICAL-PROPERTIES  CONSTANTS  PRESSURE  CRYSTALS  STATE   The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties 期刊论文 http://dx.doi.org/10.1073/pnas.0308730100, 2004 Xu, X; Goddard, WA; 徐昕 收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22 GENERALIZED-GRADIENT APPROXIMATIONS  HIGHLY CORRELATED SYSTEMS  MOLECULAR NEGATIVE-IONS  GAUSSIAN-BASIS SETS  RARE-GAS ATOMS  CORRELATION ENERGIES  DIATOMIC-MOLECULES  EXCHANGE  ELECTRON  APPLICABILITY   Structural and electronic properties of RuSi, RuGe and OsSi 期刊论文 2001 He, G. M.; Li, S. P.; Huang, M. C.; 何国敏 收藏  |  浏览/下载：3/0  |  提交时间：2013/12/12 SEMICONDUCTOR