화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Critical impact of Ehrlich-Schwobel barrier on GaN surface morphology during homoepitaxial growth
Kaufmann NAK, Lahourcade L, Hourahine B, Martin D, Grandjean N
Journal of Crystal Growth, 433, 36, 2016
2 Treatment of collinear and noncollinear electron spin within an approximate density functional based method
Kohler C, Frauenheim T, Hourahine B, Seifert G, Sternberg M
Journal of Physical Chemistry A, 111(26), 5622, 2007
3 Initial steps toward automating the fitting of DFTB E-rep(r)
Knaup JM, Hourahine B, Frauenheim T
Journal of Physical Chemistry A, 111(26), 5637, 2007
4 An efficient LDA+U based tight binding approach
Sanna S, Hourahine B, Gallauner T, Frauenheim T
Journal of Physical Chemistry A, 111(26), 5665, 2007
5 Self-interaction and strong correlation in DFTB
Hourahine B, Sanna S, Aradi B, Kohler C, Niehaus T, Frauenheim T
Journal of Physical Chemistry A, 111(26), 5671, 2007
6 DFTB+, a sparse matrix-based implementation of the DFTB method
Aradi B, Hourahine B, Frauenheim T
Journal of Physical Chemistry A, 111(26), 5678, 2007