DENSITY-MATRIX CALCULATIONS FOR MOLECULES AND CLUSTERS .2. 1ST-ROW DIATOMIC-MOLECULES

被引:13
作者
GOLLISCH, H [1 ]
机构
[1] SONDERFORSCH BEREICH 126 GOTTINGEN CLAUSTHAL,D-3392 CLAUSTHAL,FED REP GER
关键词
D O I
10.1088/0022-3700/14/23/010
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
引用
收藏
页码:4451 / 4467
页数:17
相关论文
共 28 条
[21]  
Slater J, 1960, QUANTUM THEORY ATOMI, VI
[22]  
Slater J, 1960, QUANTUM THEORY ATOMI, V2
[23]   A SIMPLIFICATION OF THE HARTREE-FOCK METHOD [J].
SLATER, JC .
PHYSICAL REVIEW, 1951, 81 (03) :385-390
[24]   The virial and molecular structure [J].
Slater, JC .
JOURNAL OF CHEMICAL PHYSICS, 1933, 1 (10) :687-691
[25]   LOCAL EXCHANGE-CORRELATION POTENTIAL FOR SPIN POLARIZED CASE .1. [J].
VONBARTH, U ;
HEDIN, L .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1972, 5 (13) :1629-+
[26]   LOCAL-DENSITY THEORY OF MULTIPLET STRUCTURE [J].
VONBARTH, U .
PHYSICAL REVIEW A, 1979, 20 (04) :1693-1703
[28]   CALCULATION OF MULTIPLET ENERGIES BY HARTREE-FOCK-SLATER METHOD [J].
ZIEGLER, T ;
RAUK, A ;
BAERENDS, EJ .
THEORETICA CHIMICA ACTA, 1977, 43 (03) :261-271