Hartree-Fock Interaction between a Helium Atom and Lithium-Metal: A Test for the Effective Medium Theory.

Abstract

The interaction of a helium atom with 6 and 10 atom clusters of lithium has been calculated using the unrestricted Hartree-Fock method, Hartree-Fock method with correlation corrections, and the effective medium theory. Inside the cluster the helium embedding energy is found to be proportional to the electron density of the cluster. The proportionality constant obtained by the Hartree-Fock method is in fair agreement with that calculated in the homogeneous electron gas using the local density approximation. Outside the cluster, in the region compatible with the helium diffraction experiments, the self-consistent calculations give much larger repulsion than the effective medium theory. (Author).

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Feb 11, 1985
Accession Number
ADA150468

Entities

People

  • A. Hintermann
  • B. K. Rao
  • D. Schillady
  • M. Manninen
  • Purusottam Jena

Organizations

  • Cornell Laboratory of Atomic and Solid State Physics

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemistry
  • Coefficients
  • Diffraction
  • Electron Density
  • Electron Gas
  • Electrons
  • Energy
  • First Principles Calculations
  • Fungi
  • Materials Science
  • Physics
  • Potential Energy
  • Scattering
  • Solid State Physics
  • Universities

Fields of Study

  • Physics

Readers

  • Calculus or Mathematical Analysis
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics