On the derivation of necessary conditions on Hartree-Fock orbitals

被引:27
作者
Dahl, J. P. [1 ]
Johansen, H. [1 ]
Truax, D. R. [1 ]
Ziegler, T. [1 ]
机构
[1] Univ Copenhagen, Dept Phys Chem, Copenhagen, Denmark
关键词
D O I
10.1016/0009-2614(70)80132-4
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
The Hartree-Fock equations for an N-electron system are derived without the use of lagrangian mutupliers. The derivation is shown to be entirely equivalent to that applying the lagrangian multiplier technique.
引用
收藏
页码:64 / 66
页数:3
相关论文
共 9 条
[1]  
BRILLOUIN L, 1934, ACTUALITES SCI IND, V159
[2]   The proper treatment of off-diagonal lagrange multipliers and coupling operators in self-consistent field equations [J].
Goddard, William A., III ;
Dunning, Thom. H., Jr. ;
Hunt, William J. .
CHEMICAL PHYSICS LETTERS, 1969, 4 (05) :231-234
[3]   Note on an approximation treatment for many-electron systems [J].
Moller, C ;
Plesset, MS .
PHYSICAL REVIEW, 1934, 46 (07) :0618-0622
[4]   APPROXIMATE METHODS IN THE QUANTUM THEORY OF MANY-FERMION SYSTEMS [J].
NESBET, RK .
REVIEWS OF MODERN PHYSICS, 1961, 33 (01) :28-36
[5]   NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89
[6]   SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :179-185
[7]  
Slater J, 1960, QUANTUM THEORY ATOMI, VI
[8]  
SLATER JC, 1960, QUANTUM THEORY ATOMI, V2
[9]  
Thouless D. J., 2014, QUANTUM MECH MANY BO, V2nd