03327nam 2200733Ia 450 991097085770332120200520144314.0978104020488710402048809780429134241042913424X9781439808375143980837610.1201/9781439808375 (CKB)2670000000044426(EBL)581715(OCoLC)667286577(SSID)ssj0000410898(PQKBManifestationID)11255548(PQKBTitleCode)TC0000410898(PQKBWorkID)10352019(PQKB)11456335(Au-PeEL)EBL581715(CaPaEBR)ebr10412002(CaONFJC)MIL692676(OCoLC)901278476(OCoLC)466360916(FINmELB)ELB159236(MiAaPQ)EBC581715(EXLCZ)99267000000004442620100607d2010 uy 0engur|n|---|||||txtccrAccurate condensed-phase quantum chemistry /edited by Frederick R. Manby1st ed.Boca Raton Taylor & Francis20101 online resource (214 p.)Computation in chemistryDescription based upon print version of record.9781322613949 132261394X 9781439808368 1439808368 Includes bibliographical references and index.Front 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 systemschapter six. Electron correlation in solids: Delocalized and localized orbital approacheschapter seven. Ab initio Monte Carlo simulations of liquid water; Back coverThe 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 goaComputation in chemistry.Quantum chemistryCondensed matterQuantum chemistry.Condensed matter.541/.28Manby Frederick R1794326MiAaPQMiAaPQMiAaPQBOOK9910970857703321Accurate condensed-phase quantum chemistry4334875UNINA