DENSITY FUNCTIONAL ESTIMATES OF CHARGE-TRANSFER AND CHEMICAL-POTENTIALS IN HYDROGEN HALIDES AND MIXED HALIDES

被引:7
作者
ALONSO, JA [1 ]
MARCH, NH [1 ]
机构
[1] UNIV OXFORD,DEPT THEORET CHEM,OXFORD OX1 3TG,ENGLAND
关键词
D O I
10.1016/0301-0104(83)85056-3
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:121 / 124
页数:4
相关论文
共 23 条
[1]  
ALONSO JA, UNPUB J CHEM PHYS
[2]   ELECTRONEGATIVITY OF POSITIVE-IONS IN THE DENSITY FUNCTIONAL THEORY [J].
BALBAS, LC ;
HERAS, EL ;
ALONSO, JA .
ZEITSCHRIFT FUR PHYSIK A-HADRONS AND NUCLEI, 1982, 305 (01) :31-37
[3]  
BALBAS LC, UNPUB MOL PHYS
[4]  
GOMBAS P, 1949, STATISTICHE THEORIE
[5]   Calculation of ionization potential from the Thomas-Fermi equation with Dirac exchange correction. [J].
Hulthen, L. .
ZEITSCHRIFT FUR PHYSIK, 1935, 95 (11-12) :789-795
[6]   ELECTRONEGATIVITY [J].
ICZKOWSKI, R ;
MARGRAVE, JL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (17) :3547-&
[7]   CONCERNING THE CHEMICAL-POTENTIAL OF FEW-ELECTRON SYSTEMS [J].
KATRIEL, J ;
PARR, RG ;
NYDEN, MR .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (04) :2397-2401
[8]  
LACKNER KS, 1981, CALTECH CALT68865 RE
[9]   RELATION BETWEEN CHEMICAL AND IONIZATION-POTENTIALS IN ATOMS [J].
MARCH, NH ;
BADER, RFW .
PHYSICS LETTERS A, 1980, 78 (03) :242-243
[10]   ELECTRON-DENSITY THEORY OF ATOMS AND MOLECULES [J].
MARCH, NH .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (12) :2262-2267