AN EXCHANGE ENERGY FUNCTIONAL BASED ON THE DIRAC AND THE FERMI-AMALDI APPROXIMATIONS

被引:8
作者
CEDILLO, A
ORTIZ, E
GAZQUEZ, JL
ROBLES, J
机构
关键词
D O I
10.1063/1.451354
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:7188 / 7192
页数:5
相关论文
共 31 条
[1]   PROPERTIES OF SINGLE-TERM ATOMIC STATES CALCULATED IN A VARIATIONALLY OPTIMIZED-LOCAL-CENTRAL-POTENTIAL MODEL [J].
AASHAMAR, K ;
LUKE, TM ;
TALMAN, JD .
PHYSICAL REVIEW A, 1979, 19 (01) :6-16
[2]  
Aashamar K., 1978, Atomic Data and Nuclear Data Tables, V22, P443, DOI 10.1016/0092-640X(78)90019-0
[3]  
BARTOLOTTI LJ, 1982, J CHEM PHYS, V76, P6057, DOI 10.1063/1.442960
[4]   ELECTRONEGATIVITIES OF THE ELEMENTS FROM SIMPLE X-ALPHA THEORY [J].
BARTOLOTTI, LJ ;
GADRE, SR ;
PARR, RG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (09) :2945-2948
[5]  
BARTOLOTTI LJ, 1978, COMPUT PHYS COMMUN, V14, P145
[6]  
Dirac PAM, 1930, P CAMB PHILOS SOC, V26, P376
[7]  
Fermi E., 1934, Mem. Reale Accad. Italia, V6, P117
[8]  
FISCHER CF, 1977, HARTREEFOCK METHOD A
[9]   SELF-INTERACTION AND INTERELECTRONIC EXCHANGE IN THE ELECTRON-GAS MODEL FOR ATOMS [J].
GAZQUEZ, JL ;
ORTIZ, E .
CHEMICAL PHYSICS LETTERS, 1981, 77 (01) :186-189
[10]   ELECTRONEGATIVITIES AND HARDNESSES OF OPEN-SHELL ATOMS [J].
GAZQUEZ, JL ;
ORTIZ, E .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (06) :2741-2748