Corrections to "density-gradient analysis of mos tunneling"
โ Scribed by Ancona, M.G.
- Book ID
- 114616722
- Publisher
- IEEE
- Year
- 2001
- Tongue
- English
- Weight
- 15 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0018-9383
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๐ SIMILAR VOLUMES
Density functional techniques are used to investigate the relative energies of seven different structural isomers of Cz4. The traditional local density approximation yields the fullerene-like isomer to be the most stable. As in the case of Cs,,, the inclusion of gradient corrections has a dramatic e
We present an analysis of local or semilocal density functionals for the ลฝ exchangeแcorrelation energy by decomposing them into their gradients r local Seitz s . ลฝ . ลฝ . radius , relative spin polarization , and s reduced density gradient . We explain the numerical method pertaining to this kind of
We have recently proposed a simple and systematic approach to the generation of exchange-correlation functionals in density-functional theory by linear least-squares fitting to accurate thermochemical reference data. In a series of four publications, new functionals with gradient corrections of firs