RHF ENERGY-BAND SHAPES FOR METALLIC CHAINS - DEPENDENCE ON THE SUMMATION OF EXCHANGE CONTRIBUTIONS - AN ILLUSTRATION ON THE LINEAR-CHAIN OF HYDROGEN-ATOMS

被引:23
作者
DELHALLE, J
DELVAUX, MH
FRIPIAT, JG
ANDRE, JM
CALAIS, JL
机构
关键词
D O I
10.1063/1.453958
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:3141 / 3146
页数:6
相关论文
共 25 条
[21]   ON THE BEHAVIOR OF EXCHANGE IN RESTRICTED HARTREE-FOCK-ROOTHAAN CALCULATIONS FOR PERIODIC POLYMERS [J].
PIELA, L ;
ANDRE, JM ;
FRIPIAT, JG ;
DELHALLE, J .
CHEMICAL PHYSICS LETTERS, 1981, 77 (01) :143-150
[22]  
SALEM L, 1961, P CAMBRIDGE PHILOS S, V7, P353
[23]  
SEITZ F, 1940, MODERN THEORY SOLIDS, P339
[24]   SMALL GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS [J].
STEWART, RF .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (01) :431-&
[25]  
UKRAINSKI II, 1975, THEOR CHIM ACTA, V8, P139