Electronic structure of LaO: ligand field versus ab initio calculations

被引:0
|
作者
Schamps, Joel
Bencheikh, Mohammed
Barthelat, Jean-Claude
Field, Robert W.
机构
来源
Journal of Chemical Physics | 1995年 / 103卷 / 18期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [1] THE ELECTRONIC-STRUCTURE OF LAO - LIGAND-FIELD VERSUS AB-INITIO CALCULATIONS
    SCHAMPS, J
    BENCHEIKH, M
    BARTHELAT, JC
    FIELD, RW
    JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (18): : 8004 - 8013
  • [2] Ab initio calculations of the electronic structure of glucocorticoids
    Kubli-Garfias, C
    Vázquez-Ramírez, R
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1998, 454 (2-3): : 267 - 275
  • [3] The electronic structure of TiCl: ligand field versus density functional calculations
    Focsa, C
    Bencheikh, M
    Pettersson, LGM
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1998, 31 (13) : 2857 - 2869
  • [4] The electronic structure of UCoGe by ab initio calculations and XPS experiment
    Samsel-Czekala, M.
    Elgazzar, S.
    Oppeneer, P. M.
    Talik, E.
    Walerczyk, W.
    Troc, R.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 22 (01)
  • [5] Effect of Hydrogenation on the Electronic Structure of HoNiSn - Ab Initio Calculations
    Jezierski, A.
    Szajek, A.
    Jurczyk, M.
    ACTA PHYSICA POLONICA A, 2010, 118 (02) : 346 - 349
  • [6] Electronic structure and conductivity of ferroelectric hexaferrite:: Ab initio calculations
    Knízek, K
    Novák, P
    Küpferling, M
    PHYSICAL REVIEW B, 2006, 73 (15):
  • [7] Finite element methods in ab initio electronic structure calculations
    Pask, JE
    Sterne, PA
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2005, 13 (03) : R71 - R96
  • [8] Approximate ab initio calculations of electronic structure of amorphous silicon
    Durandurdu, M
    Drabold, DA
    Mousseau, N
    PHYSICAL REVIEW B, 2000, 62 (23) : 15307 - 15310
  • [9] Ab initio calculations of the atomic and electronic structure of β-silicon nitride
    Belkada, R
    Shibayanagi, T
    Naka, M
    Kohyama, M
    JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2000, 83 (10) : 2449 - 2454
  • [10] Electronic structure and excitations in oligoacenes from ab initio calculations
    Kadantsev, ES
    Stott, MJ
    Rubio, A
    JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (13):