HARTREE-FOCK CALCULATION OF COHESIVE ENERGIES AND EQUILIBRIUM LATTICE-CONSTANTS FOR SOLID LI AND BE

被引:19
作者
STOLL, H [1 ]
PREUSS, H [1 ]
机构
[1] UNIV STUTTGART,THEORET CHEM INST,PFAFFENWALDRING 55,D-7 STUTTGART,FED REP GER
关键词
D O I
10.1002/qua.560090503
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:775 / 787
页数:13
相关论文
共 34 条
[11]   Approximation method for the solution of the quantum mechanical multibody problems [J].
Fock, V. .
ZEITSCHRIFT FUR PHYSIK, 1930, 61 (1-2) :126-148
[12]  
GILBERT TL, 1964, MOLECULAR ORBITALS C
[13]   INFLUENCE OF ELECTRONIC EXCHANGE AND CORRELATION ON PSEUDOPOTENTIAL CALCULATION .3. EQUILIBRIUM LATTICE-CONSTANTS AND BULK PROPERTIES [J].
HAFNER, J .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1973, 57 (02) :497-507
[14]   INFLUENCE OF ELECTRONIC EXCHANGE AND CORRELATION ON PSEUDOPOTENTIAL CALCULATIONS .2. BINDING-ENERGY AND STABLE CRYSTAL-STRUCTURE [J].
HAFNER, J .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1973, 57 (01) :101-114
[15]  
Hafner J., 1973, Physica Status Solidi B, V56, P579, DOI 10.1002/pssb.2220560220
[16]   ELECTRONIC-STRUCTURE STUDIES OF SOLIDS .2. EXACT HARTREE-FOCK CALCULATIONS FOR CUBIC ATOMIC-HYDROGEN CRYSTALS [J].
HARRIS, FE ;
KUMAR, L ;
MONKHORST, HJ .
PHYSICAL REVIEW B, 1973, 7 (06) :2850-2866
[17]  
HARRIS FE, 1974, PHYS REV B, V9, P4084
[18]  
HARRIS FE, 1972, J PHYSIQUE, V33, pC3
[19]   The wave mechanics of an atom with a non-Coulomb central field Part I theory and methods [J].
Hartree, DR .
PROCEEDINGS OF THE CAMBRIDGE PHILOSOPHICAL SOCIETY, 1928, 24 :89-110
[20]  
HEINE V, 1964, PHILOS MAG, V9, P481