Bound Electron Pairs in Metal–Ammonia Solutions: Self‐Consistent Local Field and Correlation Energy

1971 ◽  
Vol 55 (1) ◽  
pp. 474-475 ◽  
Author(s):  
D. E. O'Reilly
Keyword(s):  
Local Field ◽  
Correlation Energy ◽  
Electron Pairs ◽  
Self Consistent ◽  
Bound Electron

Local Field Effects Near Surfaces of Small Systems

1994 ◽  
Vol 366 ◽  
Author(s):  
David Beaglehole
Keyword(s):  
Dielectric Constant ◽  
External Field ◽  
Electric Field ◽  
Local Field ◽  
Computer Calculation ◽  
Local Fields ◽  
Small Systems ◽  
Shape Dependence ◽  
Self Consistent ◽  
Reflection Of Light

ABSTRACTThe interaction of light with a system of molecules depends upon the polarisation induced by an external electric field, which depends not only upon the external field but also upon the local fields due to neighboring polarised molecules. These local fields result in the traditional Clausius-Mossotti (CM) dielectric constant for a molecule deeply imbedded in a medium. Near the surface the local fields are altered, and the dielectric constant becomes anisotropic and dependent upon depth into the medium. The local fields are shape dependent in small systems and differ substantially from the CM value.A self-consistent computer calculation of the local fields has been implemented, and these effects will be shown using molecule positions and polarisabilities typical of liquids and crystals. The shape dependence of small systems, the reflection of light from liquids with fluctuating surfaces, and the effect of supporting substrates will be described.

VERTEX CORRECTIONS IN THE NUCLEAR SCHWINGER–DYSON FORMALISM

2002 ◽  
Vol 11 (04) ◽  
pp. 321-333 ◽  
Author(s):  
MASAHIRO NAKANO ◽  
HIROYUKI MATSUURA ◽  
TAISUKE NAGASAWA ◽  
KEN-ICHI MAKINO ◽  
NOBUO NODA ◽  
...  
Keyword(s):  
Field Theory ◽  
Correlation Energy ◽  
Mean Field Theory ◽  
Mean Field ◽  
The Other ◽  
Vertex Correction ◽  
Hartree Fock ◽  
Vertex Corrections ◽  
Negative Correlation Energy ◽  
Self Consistent

We develop the Nuclear Schwinger–Dyson (NSD) formalism to include the effects of ladder diagrams by modifying the vertex. In this extension, the NSD equation sums up both ring diagrams and ladder diagrams self-consistently. The results are compared with mean field theory, Hartree Fock and bare-vertex NSD calculations. It is shown that the vertex correction is important from the following viewpoints. First, the vertex correction greatly modifies the meson propagators, and we can avoid the ghost-pole from meson propagators in a self-consistent way. Secondly, it gives a large negative correlation-energy compared with the other calculations; as a result, it gives a softer equation of state which is preferable according to the experimental data.

The self‐consistent electron pairs method for multiconfiguration reference state functions

1982 ◽  
Vol 76 (6) ◽  
pp. 3144-3156 ◽  
Author(s):  
Hans‐Joachim Werner ◽  
Ernst‐Albrecht Reinsch
Keyword(s):  
The Self ◽  
Reference State ◽  
Electron Pairs ◽  
Self Consistent ◽  
State Functions

Ground State Properties And Magnetism In Substitutionally Disordered Fe1-xCrx Alloys

1990 ◽  
Vol 186 ◽  
Author(s):  
W. A. Shelton ◽  
F. J. Pinski ◽  
D. D. Johnson ◽  
D. M. Nicholson ◽  
G. M. Stocks
Keyword(s):  
Ground State ◽  
First Principles ◽  
Correlation Energy ◽  
Local Spin Density Approximation ◽  
Density Approximation ◽  
Potential Approximation ◽  
Spin Polarized ◽  
Self Consistent ◽  
Cr Concentration ◽  
The Individual

AbstractWe have performed calculations of the electronic structure of the random substitutional bcc Fe1-xCrx alloys, using the spin-polarized, self-consistent Korringa, Kohn and Rostoker coherent potential approximation (KKR-CPA) method. This is a first principles method based on a local spin density approximation for electron exchange and correlation energy. For the iron-rich alloys, we find that the average moment decreases linearly with Cr concentration, although the individual moments show a different concentration dependence and the Cr moment is anti-parallel to the Fe moment. This system is similar to Fe1-xVx system, although some details are different.

Sign in / Sign up

Export Citation Format

Share Document