Abstract
We calculate electron momentum densities of various crystalline solids by employing the linear-muffin-tin-orbital (LMTO) method. We use three levels of approximation to the LMTO: the simplest atomic sphere approximation (ASA), the ASA with overlap correction, and the full-potential (FP) LMTO. Although the band energies calculated using the ASA and the FP-LMTO are practically the same, there is a noticeable difference in the electron momentum densities which is not cured by making a simple overlap correction to the ASA-LMTO method.
Original language | English |
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Pages (from-to) | 6779-6792 |
Number of pages | 14 |
Journal | Journal of Physics Condensed Matter |
Volume | 11 |
Issue number | 35 |
DOIs | |
Publication status | Published - 6 Sept 1999 |