Orbital correlation effects: The independent pair-potential approximation with application to the ground state and first ionized state of boron hydride

1974 ◽  
Vol 35 (1) ◽  
pp. 17-32 ◽  
Author(s):  
E. L. Mehler
Keyword(s):  
Ground State ◽  
Pair Potential ◽  
Correlation Effects ◽  
Boron Hydride ◽  
Potential Approximation ◽  
Orbital Correlation ◽  
Independent Pair

scholarly journals Orbital Correlation Effects in Transition Metal Microclusters

1999 ◽  
Vol 40 (11) ◽  
pp. 1237-1243 ◽  
Author(s):  
Lei Zhou ◽  
Jian-Tao Wang ◽  
Dingsheng Wang ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Transition Metal ◽  
Correlation Effects ◽  
Orbital Correlation

Wave-number dependence of the static screening function of an interacting electron gas. II. Higher-order exchange and correlation effects

1970 ◽  
Vol 48 (2) ◽  
pp. 167-181 ◽  
Author(s):  
D. J. W. Geldart ◽  
Roger Taylor
Keyword(s):  
Density Dependence ◽  
Ground State ◽  
Electron Gas ◽  
Perturbation Expansion ◽  
Interpolation Formula ◽  
Higher Order ◽  
Wave Number ◽  
Correlation Effects ◽  
Many Body ◽  
Static Screening

An interpolation formula is suggested for the wave-number and density dependence of the static screening function for an interacting electron gas in its ground state. The approximate screening function simulates a number of properties of the exact screening function which have been established by analysis of its many-body perturbation expansion. The accuracy of the interpolation formula is discussed and is considered to be adequate for practical calculations in the range of intermediate metallic densities.

Electron correlation effects on the ground-state structure and stability of triborane(9)

1989 ◽  
Vol 28 (1) ◽  
pp. 109-111 ◽  
Author(s):  
John F. Stanton ◽  
William N. Lipscomb ◽  
Rodney J. Bartlett ◽  
Michael L. McKee
Keyword(s):  
Electron Correlation ◽  
Ground State ◽  
Ground State Structure ◽  
Correlation Effects ◽  
State Structure ◽  
Structure And Stability ◽  
Electron Correlation Effects

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.

BOUND POLARON IN A POLAR SEMICONDUCTOR HETEROJUNCTION IN STATIC ELECTRIC FIELD

2006 ◽  
Vol 20 (17) ◽  
pp. 2359-2368 ◽  
Author(s):  
JIA LIU ◽  
JING-LIN XIAO
Keyword(s):  
Binding Energy ◽  
Electric Field ◽  
Ground State ◽  
Longitudinal Optical ◽  
Static Electric Field ◽  
Phonon Modes ◽  
Potential Approximation ◽  
Intermediate Coupling ◽  
Area Density ◽  
Bound Polaron

The binding energy of the ground state of a bound polaron near the interface of a polar-polar semiconductor heterojunction is investigated by using the Lee–Low–Pines intermediate coupling method. The influence of a triangular potential approximation of the interface, the electron-phonon and impurity-phonon interactions as well as the half-space bulk longitudinal and interface-optical phonon modes are all taken into account. We have performed numerical calculations on the GaAs / Al x Ga 1-x As (0.2 ≤ x ≤ 0.4) heterojunction system and studied the relations between the ground state binding energy of the polaron and the impurity position, electric field strength and electron area density, respectively. It is found that with the increase in the distance between the impurity and the interface, the binding energy and the contribution of phonons reach the maximum. It is also found that the binding energy of the bound polaron increases slowly with the increase in an electric field while the total polaronic correction decreases the binding energy. When the electron area density is increased, the contribution of the interface-optical (IO) modes is greater than that of the bulk longitudinal optical (LO) mode.

Measurements of the ground-state Lamb shift and electron-correlation effects in hydrogenlike and heliumlike uranium

1994 ◽  
Vol 50 (3) ◽  
pp. 2150-2154 ◽  
Author(s):  
James H. Lupton ◽  
Daniel D. Dietrich ◽  
Charles J. Hailey ◽  
Richard E. Stewart ◽  
Klaus P. Ziock
Keyword(s):  
Electron Correlation ◽  
Ground State ◽  
Lamb Shift ◽  
Correlation Effects ◽  
Electron Correlation Effects
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