LEADER 00910nam0-22003611i-450 001 990002564400403321 005 20190702103434.0 010 $a0471919225 035 $a000256440 035 $aFED01000256440 035 $a(Aleph)000256440FED01 035 $a000256440 100 $a20000920d1975----km-y0itay50------ba 101 0 $aeng 102 $aUS 200 1 $aMethods of optimization$fG.R. Walsh 210 $aLondon$cJohn Wiley$d1975 215 $aX, 200 p.$d24 cm 610 0 $aOttimizzazione 676 $a515 700 1$aWalsh,$bGordon Raymond$0103168 801 0$aIT$bUNINA$gRICA$2UNIMARC 901 $aBK 912 $a990002564400403321 952 $aMXVI-B-41$b2465$fMAS 952 $a5-L-29$b17332$fMA1 952 $a02 50 A 4$b2183$fFINBN 959 $aFINBN 959 $aMA1 959 $aMAS 996 $aMethods of Optimization$9343540 997 $aUNINA DB $aING01 LEADER 01440nam0-22003851i-450 001 990004726210403321 005 20210526123410.0 035 $a000472621 035 $aFED01000472621 035 $a(Aleph)000472621FED01 035 $a000472621 100 $a19990530g196970--km-y0itay50------ba 101 0 $aita 105 $ay-------001yy 200 1 $aHandbuch der deutschen Gegenwartsliteratur$fHermann Kunisch 205 $a2. verb und erw. Aufl. 210 $aMnnchen$cNymphenburger Verlagshandlung$dc1969-70. 215 $a3 v.$d26 cm 327 $1001000116998$12001$a1.: A-K, redaktion Herbert Wiesner in Zusammenarbeit mit Helge KShler$fChristoph Stoll und Irena Zivsa 327 $1001000117000$12001$a3.: Bibliographie der Personalbibliographien$fvon Herbert Wiesner zusammen mit Irena Zivsa und Christoph Stoll 327 $1001000116999$12001$a2.: L-Z und Rahmenartikel$fRedaktion Herbert Wiesner in Zusammenarbeit mit Christoph Stoll und Irena Zivsa 700 1$aKunisch,$bHermann$0131968 702 1$aKähler,$bHelge 702 1$aStoll,$bChristoph 702 1$aWiesner,$bHerbert 702 1$aZivsa,$bIrena 801 0$aIT$bUNINA$gRICA$2UNIMARC 901 $aBK 912 $a990004726210403321 952 $aTK-201(1$bS.i.$fFLFBC 952 $aTK-201(2$bS.i.$fFLFBC 952 $aTK-201(3$bS.i.$fFLFBC 959 $aFLFBC 996 $aHandbuch der deutschen Gegenwartsliteratur$9556640 997 $aUNINA LEADER 03085oam 2200625I 450 001 9910460024603321 005 20200520144314.0 010 $a0-429-13424-X 010 $a1-4398-0837-6 024 7 $a10.1201/9781439808375 035 $a(CKB)2670000000044426 035 $a(EBL)581715 035 $a(OCoLC)667286577 035 $a(SSID)ssj0000410898 035 $a(PQKBManifestationID)11255548 035 $a(PQKBTitleCode)TC0000410898 035 $a(PQKBWorkID)10352019 035 $a(PQKB)11456335 035 $a(MiAaPQ)EBC581715 035 $a(Au-PeEL)EBL581715 035 $a(CaPaEBR)ebr10412002 035 $a(CaONFJC)MIL692676 035 $a(OCoLC)901278476 035 $a(EXLCZ)992670000000044426 100 $a20180331d2011 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aAccurate condensed-phase quantum chemistry /$feditor, Frederick R. Manby 210 1$aBoca Raton :$cTaylor & Francis,$d2011. 215 $a1 online resource (214 p.) 225 1 $aComputation in chemistry 300 $aDescription based upon print version of record. 311 $a1-322-61394-X 311 $a1-4398-0836-8 320 $aIncludes bibliographical references and index. 327 $aFront cover; Contents; Series Preface; Preface; Editor; Contributors; chapter one. Laplace transform second-order Møller-Plesset methods in the atomic orbital basis for periodic systems; chapter two. Density fitting for correlated calculations in periodic systems; chapter three. The method of increments-a wavefunction-based correlation method for extended systems; chapter four. The hierarchical scheme for electron correlation in crystalline solids; chapter five. Electrostatically embedded many-body expansion for large systems 327 $achapter six. Electron correlation in solids: Delocalized and localized orbital approacheschapter seven. Ab initio Monte Carlo simulations of liquid water; Back cover 330 $aThe theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which allow one to approach very high accuracy, provided that sufficient computational resources are available. Until recently, these hierarchies have not been available in condensed-phase chemistry, but recent advances in the field have now led to a group of methods that are capable of reaching this goa 410 0$aComputation in chemistry. 606 $aQuantum chemistry 606 $aCondensed matter 608 $aElectronic books. 615 0$aQuantum chemistry. 615 0$aCondensed matter. 676 $a541/.28 701 $aManby$b Frederick R$0998550 801 0$bFlBoTFG 801 1$bFlBoTFG 906 $aBOOK 912 $a9910460024603321 996 $aAccurate condensed-phase quantum chemistry$92290673 997 $aUNINA