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100   $a20100607d2010      uy         0
101 0 $aeng
135   $aur|n|---|||||
181   $ctxt
182   $cc
183   $acr
200 00$aAccurate condensed-phase quantum chemistry /$fedited by Frederick R. Manby
205   $a1st ed.
210   $aBoca Raton $cTaylor & Francis$d2010
215   $a1 online resource (214 p.)
225 1 $aComputation in chemistry
300   $aDescription based upon print version of record.
311 08$a9781322613949 
311 08$a132261394X 
311 08$a9781439808368 
311 08$a1439808368 
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   $aCondensed matter
615  0$aQuantum chemistry.
615  0$aCondensed matter.
676   $a541/.28
701   $aManby$b Frederick R$01794326
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910970857703321
996   $aAccurate condensed-phase quantum chemistry$94334875
997   $aUNINA