Compton profile of cuprous oxide by linear combination of Gaussian orbitals
Aniruddha Deb; Arun Kumar Chatterjee; Aniruddha Deb; Department of Physics, Bose Institute, Calcutta 700 009, India; Arun Kumar Chatterjee; Department of Physics, Bose Institute, Calcutta 700 009, India
Журнал:
Journal of Physics: Condensed Matter
Дата:
1996-07-01
Аннотация:
In this paper we report self-consistent all-electron local-density calculations using the linear combination of Gaussian orbitals method for cuprous oxide. We calculated the directional Compton profile and their anisotropic effect. The spherical average Compton profile has also been calculated and compared with the experimental results. We also calculated the density of states of cuprous oxide.
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