Virial theorem and exact properties of density functionals for periodic systems
β Scribed by Mirhosseini, H.; Cangi, A.; Baldsiefen, T.; Sanna, A.; Proetto, C. R.; Gross, E. K. U.
- Book ID
- 124069557
- Publisher
- The American Physical Society
- Year
- 2014
- Tongue
- English
- Weight
- 154 KB
- Volume
- 89
- Category
- Article
- ISSN
- 1098-0121
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π SIMILAR VOLUMES
By the Hellmann-Feynman theorem, the density n (r) of many electrons in the presence of exter- nal potential U(r) obeys the relationships d r n(r)Vv(r)=0 and d r n(r)r)&VU(r)=0. By the virial theorem, the interacting kinetic and electron-electron repulsion expectation values obey 2T[n]+ V"[n] = -f d
## S y n o p s i s A method is presented which enables one to obtain density expansions for the distribution functions for finite systems from integro-differential equations involving derivatives of these distribution functions with respect to density. I t is shown t h a t the ~tth coefficient in