We present an analysis of local or semilocal density functionals for the Ε½ exchangeαcorrelation energy by decomposing them into their gradients r local Seitz s . Ε½ . Ε½ . radius , relative spin polarization , and s reduced density gradient . We explain the numerical method pertaining to this kind of
β¦ LIBER β¦
Polymer crystallization: density functional theory and application to polyethylene
β Scribed by John D. McCoy; Kevn.G. Honnell; Kenneth S. Schweizer; John G. Curro
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 477 KB
- Volume
- 179
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
polymer melts is formulated and applied to polyethylene.
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