Density functional calculations for molecules and clusters -: Lin, LinO, Cn

被引：0
|
作者：
Jones, RO [1 ]
机构：
[1] Forschungszentrum Julich, Inst Festkorperforsch, Forschungszentrum Julich, D-52425 Julich, Germany
来源：
ELECTRONIC DENSITY FUNCTIONAL THEORY | 1998年
关键词：
D O I：
暂无
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：349 / 360
页数：12
相关论文
共 50 条
  • [21] DENSITY FUNCTIONAL CALCULATIONS WITH SIMULATED ANNEALING - CLUSTERS AND AMORPHOUS MATERIALS
    JONES, RO
    HOHL, D
    PHYSICA SCRIPTA, 1991, T35 : 154 - 158
  • [22] Structural properties of bimetallic clusters from density functional calculations
    Fernández, EM
    Balbás, LC
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2005, 19 (15-17): : 2339 - 2344
  • [23] Density functional calculations for small iron clusters with substitutional phosphorus
    Nakazawa, T.
    Igarashi, T.
    Tsuru, T.
    Kaji, Y.
    Jitsukawa, S.
    JOURNAL OF NUCLEAR MATERIALS, 2011, 417 (1-3) : 1090 - 1093
  • [24] Photodissociation and Density Functional Calculations of Small VmOn+ Clusters
    Li, Ren-zhong
    Xu, Hong-guang
    Cao, Guo-jin
    Zhao, Yu-chao
    Zheng, Wei-jun
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2011, 24 (05) : 572 - 579
  • [25] Density functional studies of LiN and LiN+ (N = 2-30) clusters: Structure, binding and charge distribution
    Goel, Neetu
    Gautam, Seema
    Dharamvir, Keya
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2012, 112 (02) : 575 - 586
  • [26] Density functional calculations with configuration interaction for the excited states of molecules
    Grimme, S
    CHEMICAL PHYSICS LETTERS, 1996, 259 (1-2) : 128 - 137
  • [27] Small clusters of water molecules using density functional theory
    Estrin, DA
    Paglieri, L
    Corongiu, G
    Clementi, E
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (21): : 8701 - 8711
  • [28] Density functional calculations with configuration interaction for the excited states of molecules
    Grimme, S.
    Chemical Physics Letters, 259 (1-2):
  • [29] APPROXIMATIONS IN LOCAL DENSITY FUNCTIONAL CALCULATIONS FOR MOLECULES AND CLUSTERS - APPLICATIONS TO C-2 AND H2O
    JONES, R
    SAYYASH, A
    JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1986, 19 (28): : L653 - L657
  • [30] DENSITY-MATRIX CALCULATIONS FOR MOLECULES AND CLUSTERS .1. THEORETICAL FOUNDATIONS
    GOLLISCH, H
    FRITSCHE, L
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (23) : 4441 - 4449
12345