LEADER 01473nam  2200433I  450 
001 9910706744603321
005 20190912082018.0
035   $a(CKB)5470000002458012
035   $a(OCoLC)1119386149
035   $a(EXLCZ)995470000002458012
100   $a20190912j201409    ka             0
101 0 $aeng
135   $aur|||||||||||
181   $ctxt$2rdacontent
182   $cc$2rdamedia
183   $acr$2rdacarrier
200 10$aTrace conserving purification for linear scaling [O(N)] methods: a first enhancement to CP2K /$fJonathan Mullin
210  1$aAberdeen Proving Ground, MD :$cArmy Research Laboratory,$dSeptember 2014.
215   $a1 online resource (20 unnumbered pages) $cillustrations
300   $a"September 2014."
300   $a"ARL-CR-0746."
320   $aIncludes bibliographical references (page 6).
517   $aTrace conserving purification for linear scaling [O
606   $aMolecular orbitals
606   $aDensity functionals
606   $aNonmonotonic reasoning
606   $aPolynomials
615  0$aMolecular orbitals.
615  0$aDensity functionals.
615  0$aNonmonotonic reasoning.
615  0$aPolynomials.
700   $aMullin$b Jonathan$01406480
712 02$aU.S. Army Research Laboratory,
801  0$bGPO
801  1$bGPO
906   $aBOOK
912   $a9910706744603321
996   $aTrace conserving purification for linear scaling methods: a first enhancement to CP2K$93485563
997   $aUNINA