ON HARTREE-FOCK EQUATIONS FOR HELIUM WITH NON-ORTHOGONAL ORBITALS

被引:10
作者
SHARMA, CS
机构
[1] Department of Mathematics, Birkbeck College
来源
JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS | 1968年 / 1卷 / 06期
关键词
D O I
10.1088/0022-3700/1/6/303
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
It is shown that the multiplets of helium which should have non-orthogonal orbitals in their Hartree-Fock wave functions are those which originate from configurations in which the two electrons have identical azimuthal quantum numbers and which do not become inadmissible for two equivalent electrons (i.e. identical principal as well as azimuthal quantum numbers). Integro-differential equations are derived for the general case of a multiplet which should have non-orthogonal orbitals. A consistency relation and the analogue of the Hellmann-Feynman formula are derived for the solutions of the integro-differential equations. It is shown that these formulae are of considerable use in a perturbation treatment of the equations.
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页码:1023 / &
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共 17 条
[1]   HARTREE-FOCK WAVE FUNCTIONS FOR EXCITED STATES - 21S STATE OF HELIUM [J].
COHEN, M ;
KELLY, PS .
CANADIAN JOURNAL OF PHYSICS, 1965, 43 (10) :1867-&
[2]  
Condon E.U., 1963, THEORY ATOMIC SPECTR
[3]   Z-1/2 EXPANSION OF UNRESTRICTED HARTREE-FOCK EQUATIONS FOR (1S)(1S') 1S STATES OF HELIUM AND HELIUM-LIKE IONS [J].
COULSON, CA ;
HIBBERT, A .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 91 (571P) :33-&
[4]   Approximation method for the solution of the quantum mechanical multibody problems [J].
Fock, V. .
ZEITSCHRIFT FUR PHYSIK, 1930, 61 (1-2) :126-148
[5]   EFFECT OF CONFIGURATION INTERACTION ON TRANSITION INTEGRAL [J].
FROESE, C .
ASTROPHYSICAL JOURNAL, 1965, 141 (03) :1206-&
[6]  
FROESE C, 1966, PHYS REV, V150, pA1
[7]   Z-1/2 EXPANSION OF UNRESTRICTED HARTREE-FOCK EQUATIONS FOR (1S)(1S) 1S STATES OF HELIUM AND HELIUM-LIKE IONS .2. [J].
HIBBERT, A .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 91 (574P) :819-&
[8]   2ND-ORDER Z-DEPENDENT THEORY OF MANY-ELECTRON ATOMS [J].
LAYZER, D ;
HORAK, Z ;
LEWIS, MN ;
THOMPSON, DP .
ANNALS OF PHYSICS, 1964, 29 (01) :101-124
[9]   HARTREE-FOCK AND CORRELATION ENERGIES FOR 1S2S 3S AND 1S STATES OF HELIUM-LIKE IONS [J].
SHARMA, CS ;
COULSON, CA .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1962, 80 (513) :81-&
[10]   ON HARTREE-FOCK EQUATIONS FOR EXCITED SINGLET S STATES OF HELIUM-LIKE IONS [J].
SHARMA, CS .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1967, 92 (577P) :543-&