CU AS A ONE-ELECTRON ATOM - MOLECULAR-STRUCTURE AND DISSOCIATION-ENERGY OF CUOH

被引:40
作者
ILLAS, F
RUBIO, J
BARTHELAT, JC
机构
[1] UNIV BARCELONA,FAC QUIM TARRAGONA,DEPT QUIM FIS,E-43005 TARRAGONA,SPAIN
[2] UNIV TOULOUSE 3,PHYS QUANT LAB,CNRS,UA505,F-31062 TOULOUSE,FRANCE
关键词
D O I
10.1016/0009-2614(85)80442-5
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:397 / 402
页数:6
相关论文
共 25 条
  • [1] BELYAER VN, 1978, IZV VYSSH UCHEBN ZAV, V21, P1968
  • [2] DAUDEY JP, 1981, STUDIES PHYS THEORET, V21, P35
  • [3] PSEUDOPOTENTIAL CALCULATION OF BONDING OF COPPER IN CU2 AND CUCL
    DIXON, RN
    ROBERTSON, IL
    [J]. MOLECULAR PHYSICS, 1978, 36 (04) : 1099 - 1112
  • [4] DUPUIS M, QCPE338
  • [5] THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS
    DURAND, P
    BARTHELAT, JC
    [J]. THEORETICA CHIMICA ACTA, 1975, 38 (04): : 283 - 302
  • [6] EPSTEIN PS, 1926, PHYS REV, V28, P690
  • [7] Herzberg G., 1979, MOL SPECTRA MOL STRU, VIV
  • [8] ITERATIVE PERTURBATION CALCULATIONS OF GROUND AND EXCITED-STATE ENERGIES FROM MULTICONFIGURATIONAL ZEROTH-ORDER WAVEFUNCTIONS
    HURON, B
    MALRIEU, JP
    RANCUREL, P
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) : 5745 - 5759
  • [9] CU AND AG AS ONE-VALENCE-ELECTRON ATOMS - PSEUDOPOTENTIAL CI RESULTS FOR CUO AND AGO
    IGEL, G
    WEDIG, U
    DOLG, M
    FUENTEALBA, P
    PREUSS, H
    STOLL, H
    FREY, R
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (06) : 2737 - 2740
  • [10] MOLECULAR-STRUCTURE OF CUOH AND CU(OH)2- - AN ABINITIO STUDY
    ILLAS, F
    RUBIO, J
    CENTELLAS, F
    VIRGILI, J
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (22) : 5225 - 5228