The electronic structure of arbitrarily shaped atomic clusters

L. Scheire

Physica A: Statistical Mechanics and its Applications, 1975, vol. 81, issue 4, 613-622

Abstract: In this paper a formal MSW approach is established to calculate the energy levels of atomic clusters and molecules. It is shown that the standard secular equation is formally preserved, though the muffin-tin approximation is replaced by the only assumption that the total potential is a sum of (possibly overlapping) atomic contributions. The transition matrix still contains all information about the scattering properties of the atoms, but is no longer diagonal in the angular momentum indices.

Date: 1975
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:81:y:1975:i:4:p:613-622

DOI: 10.1016/0378-4371(75)90077-1

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