Trace conserving purification for linear scaling [O(N)] methods : a first enhancement to CP2K /

Bibliographic Details

Main Author:	Mullin, Jonathan (Author)
Format:	Government Document eBook
Language:	English
Published:	Aberdeen Proving Ground, MD : Army Research Laboratory, September 2014.
Subjects:	Molecular orbitals. Density functionals. Nonmonotonic reasoning. Polynomials.
Online Access:	https://purl.fdlp.gov/GPO/gpo125501