Study of Some Simple Approximations to the Non-Interacting Kinetic Energy Functional
Within the framework of density functional theory, a study of approximations to the enhancement factor of the non-interacting kinetic energy functional Ts[ρ] has been presented. For this purpose, the model of Liu and Parr (Liu and Parr, Phys Rev A 1997, 55, 1792) based on a series expansion of Ts[ρ]...
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| Altres autors: | , , , |
| Format: | article |
| Publicat: |
2016
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| Matèries: | |
| Accés en línia: | http://repositorio.ikiam.edu.ec:8080/jspui/handle/RD_IKIAM/76 http://repositorio.ikiam.edu.ec/jspui/handle/RD_IKIAM/76 http://doi:10.1002/qua.25179 |
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