01473nam 2200433I 450 991070674460332120190912082018.0(CKB)5470000002458012(OCoLC)1119386149(EXLCZ)99547000000245801220190912j201409 ka 0engur|||||||||||txtrdacontentcrdamediacrrdacarrierTrace conserving purification for linear scaling [O(N)] methods: a first enhancement to CP2K /Jonathan MullinAberdeen Proving Ground, MD :Army Research Laboratory,September 2014.1 online resource (20 unnumbered pages) illustrations"September 2014.""ARL-CR-0746."Includes bibliographical references (page 6).Trace conserving purification for linear scaling [OMolecular orbitalsDensity functionalsNonmonotonic reasoningPolynomialsMolecular orbitals.Density functionals.Nonmonotonic reasoning.Polynomials.Mullin Jonathan1406480U.S. Army Research Laboratory,GPOGPOBOOK9910706744603321Trace conserving purification for linear scaling methods: a first enhancement to CP2K3485563UNINA