Combining ab initio techniques with analytical potential functions for structure predictions of large systems: Method and application to crystalline silica polymorphs

Uwe Eichler, Christoph M. Kölmel, Joachim Sauer. Combining ab initio techniques with analytical potential functions for structure predictions of large systems: Method and application to crystalline silica polymorphs. Journal of Computational Chemistry, 18(4):463-477, 1997. [doi]

Abstract

Abstract is missing.