B. Delley

发表

Efficient and accurate expansion methods for molecules in local density models

B. Delley, D. Ellis, B. Delley, 1982 .

The conductor-like screening model for polymers and surfaces

B. Delley, B. Delley, 2006 .

DMol methodology and applications

B. Delley, B. Delley, 1991 .

Local Density Functional Theory of Surfaces and Molecules: Unified Electronic Structural Approach

Erich Wimmer, A. J. Freeman, S.-H. Chou, 1987 .

Valence states of Cr and the insulator-to-metal transition in Cr-doped Sr Ti O 3

Markus Janousch, B. Delley, M. Janousch, 2005 .

DMol, a standard tool for density functional calculations: Review and advances

B. Delley, B. Delley, 1995 .

Size dependence of band gaps in silicon nanostructures

E. F. Steigmeier, B. Delley, B. Delley, 1995 .

Wetting of paracetamol surfaces studied by DMol3‐COSMO calculations

B. Delley, B. Delley, T. Todorova, 2008 .

Analytic energy derivatives in the numerical local‐density‐functional approach

B. Delley, B. Delley, 1991 .