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Local scaling transformation function and atomic shell structure in density functional theory
- Source :
- Pramana; February 1994, Vol. 42 Issue: 2 p149-157, 9p
- Publication Year :
- 1994
-
Abstract
- The method of local scaling transformation in density functional theory calculates a transformation function (TRF) in order to generate an optimized atomic N-electron wave function from a trial density and a reference density/wave function. The TRFsf(r) for several atomic systems are studied and it is observed that the number of minima in df(r)/drequals the number of atomic shells, except whenρ=ρ0andf=r.
Details
- Language :
- English
- ISSN :
- 03044289
- Volume :
- 42
- Issue :
- 2
- Database :
- Supplemental Index
- Journal :
- Pramana
- Publication Type :
- Periodical
- Accession number :
- ejs15366157
- Full Text :
- https://doi.org/10.1007/BF02847510