Accurate Thomas-Fermi-Dirac calculations for diatomic systems

1977 ◽  
Vol 11 (1) ◽  
pp. 163-178 ◽  
Author(s):  
K. Yonei ◽  
J. Goodisman
Keyword(s):  
Thomas Fermi ◽  
Diatomic Systems

Thomas-Fermi approach to diatomic systems. II. Correlation diagrams for N-N and Ne-Ne

1979 ◽  
Vol 20 (5) ◽  
pp. 1808-1815 ◽  
Author(s):  
A. Toepfer ◽  
E. K. U. Gross ◽  
R. M. Dreizler
Keyword(s):  
Thomas Fermi ◽  
Diatomic Systems

Extended Thomas-Fermi approach to diatomic systems

1979 ◽  
Vol 71 (1) ◽  
pp. 49-53 ◽  
Author(s):  
R.M. Dreizler ◽  
E.K.U. Gross ◽  
A. Toepfer
Keyword(s):  
Thomas Fermi ◽  
Diatomic Systems

Angular terms in the electron density for the phosphine molecule

1956 ◽  
Vol 52 (4) ◽  
pp. 703-711 ◽  
Author(s):  
R. A. Ballinger ◽  
N. H. March
Keyword(s):  
Variational Method ◽  
Charge Density ◽  
Electron Density ◽  
Legendre Polynomials ◽  
Molecular Axis ◽  
Thomas Fermi ◽  
Line Charge ◽  
Density Map ◽  
Circular Line

ABSTRACTAn attempt is made to calculate the first few angular terms in an expansion of the electron density for the phosphine molecule in Legendre polynomials. Such an expansion is appropriate for a model in which the three hydrogen nuclei are smeared to form a circular line charge. The Thomas–Fermi approximation has been used in conjunction with the variational method. The variational density employed includes p and f angular terms. An approximate charge density map is constructed for a plane containing the molecular axis in order to demonstrate the effect of the angular terms.

Thomas-Fermi Theory of an Inhomogeneous Electron Liquid Generalized to Incorporate Density Gradients

1998 ◽  
Vol 36 (2) ◽  
pp. 91-103 ◽  
Author(s):  
C. Amovilli ◽  
N. H. March ◽  
T. G. Schmalz ◽  
D. J. Klein
Keyword(s):  
Density Gradients ◽  
Fermi Theory ◽  
Thomas Fermi
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