| | 1 | Author
| Claudia Blaas, Josef Redinger, Raimund Podloucky, Peter Jonas, Peter Schattschneider | Requires cookie* | | | Title
| Calculation of Compton Profiles Using a Multipole Expansion of the Momentum Density  | | | | Abstract
| A practical method for the calculation of Compton profiles for cubic systems with O and O h symmetry is presented that is based on a multipole expansion of the electron momentum density (EMD) in terms of cubic harmonics. The central quantities, the expansion coefficients, are deter-mined by a Gaussian-type integration (special directions) over the angular coordinates. From these coefficients the coefficients of an analogous expansion of the Compton profile can be directly calculated, establishing a transparent relationship between the electron momentum density and the Compton profile. This direct relationship offers the possibility of tracing back Compton-profile anisotropics to EMD anisotropics more easily, as demonstrated for MgO and FeAl. | | | |
Reference
| Z. Naturforsch. 48a, 198—202 (1993); received December 24 1991 | | | |
Published
| 1993 | | | |
Keywords
| Compton profile, Electron momentum density, Multipole expansion, MgO, FeAl | | | |
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| default:Reihe_A/48/ZNA-1993-48a-0198.pdf | | | | Identifier
| ZNA-1993-48a-0198 | | | | Volume
| 48 | |
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