Premium
Electron momentum distribution in diamond
Author(s) -
Wepfer G. G.,
Euwema R. N.,
Surratt G. T.,
Wilhite D. L.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560070771
Subject(s) - formalism (music) , diamond , impulse (physics) , diagonal , angular momentum , momentum (technical analysis) , physics , electron , fourier transform , atomic physics , computational physics , quantum electrodynamics , quantum mechanics , chemistry , mathematics , geometry , finance , economics , art , musical , organic chemistry , visual arts
Compton profiles have been calculated for diamond with the self‐consistent‐field Hartree‐Fock formalism reported earlier. The momentum density ρ( k, k ) is the diagonal part of the double Fourier transform of ρ (r̄, r̄′). The Compton profile is calculated from this, assuming the validity of the impulse approximation. Calculations are carried out along various crystalline directions in order to make comparisons with experiment.