ChemInform Abstract: THE ELECTRONIC STRUCTURE AND THE NATURE OF CHEMICAL BOND OF CRYSTALLINE LITHIUM SILICIDE (LI12SI7). A SEMIEMPIRICAL CRYSTAL ORBITAL (CO) APPROACH BASED ON THE SELF-CONSISTENT-FIELD (SCF) APPROXIMATION IN THE HARTREE-FOCK (HF) SCHEME A

1985 ◽  
Vol 16 (34) ◽  
Author(s):  
M. C. BOEHM ◽  
R. RAMIREZ ◽  
R. NESPER ◽  
H. G. VON SCHNERING
Keyword(s):  
Electronic Structure ◽  
Chemical Bond ◽  
The Self ◽  
Hartree Fock ◽  
Consistent Field ◽  
Crystal Orbital ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Nature Of Chemical Bond

APPROXIMATE WAVE FUNCTIONS OF Pb+++ BY THE METHOD OF SELF-CONSISTENT FIELD WITHOUT EXCHANGE

1959 ◽  
Vol 37 (9) ◽  
pp. 983-988 ◽  
Author(s):  
J. F. Hart ◽  
Beatrice H. Worsley
Keyword(s):  
Common Point ◽  
Wave Functions ◽  
The Self ◽  
Decimal Digit ◽  
Hartree Fock ◽  
The Core ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Approximate Wave

The FERUT program previously described for calculating Hartree–Fock wave functions by the method of the self-consistent field has been adapted to the configuration Pb+++. Although the exchange factors were omitted, the program was extended beyond its original scope in other respects, and an assessment of the difficulties so encountered is made. It might be noted, however, that, except in the case of the 4ƒ wave function, it was possible to begin all the integrations at a common point. Initial estimates were made from the Douglas, Hartree, and Runciman results for thallium. The estimates for the core functions were not assumed to be satisfactory. The errors in the final wave functions are considered to be no more than one or two units in the second decimal digit.

scholarly journals Ion model of a hot dense plasma

1997 ◽  
Vol 15 (4) ◽  
pp. 627-634 ◽  
Author(s):  
N.Y. Orlov
Keyword(s):  
Experimental Data ◽  
Theoretical Model ◽  
Dense Plasma ◽  
Field Method ◽  
The Self ◽  
Hartree Fock ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Radiative Opacity

Results are presented for a theoretical model, known as the ion model (IM), recently elaborated to calculate the radiative opacity of a hot dense plasma. The model is based on the self-consistent field method for subsystems obeying Gibbs statistics. The results are compared with calculations that use the Hartree-Fock-Slater model and with experimental data. A theory is proposed to explain the extraordinary spectral line-shift phenomenon associated with such plasmas.

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