We calculate the energy E(n) required to immerse a noble-gas atom or H2 molecule into a low-density electron gas. The basic idea of Puska, Nieminen, and Manninen [Phys. Rev. B 24, 3037 (1981)] is modified by replacing the scattering length a with an effective length calculated by omitting polarization. The results are in good agreement with both ab initio and semiempirical results obtained by other methods.
ENERGY OF IMMERSING A HE, NE, OR AR ATOM OR H-2 MOLECULE INTO A LOW-DENSITY ELECTRON-GAS
TOIGO, FLAVIO
1985
Abstract
We calculate the energy E(n) required to immerse a noble-gas atom or H2 molecule into a low-density electron gas. The basic idea of Puska, Nieminen, and Manninen [Phys. Rev. B 24, 3037 (1981)] is modified by replacing the scattering length a with an effective length calculated by omitting polarization. The results are in good agreement with both ab initio and semiempirical results obtained by other methods.File in questo prodotto:
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