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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
Description
Item Description:"September 2014."
"ARL-CR-0746."
Physical Description:1 online resource (20 unnumbered pages) : illustrations
Bibliography:Includes bibliographical references (page 6).