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Title Correlation and Localization / volume editor: Peter R. Surjan ; with contributions by, R.J. Bartlett, F. Bogar, D.L. Cooper, B. Kirtman, W. Klopper, W. Kutzelnigg, N.H. March, P.G. Mezey, H. Muller, J. Noga, J. Paldus, J. Pipek, M. Raimondi, I. Reggen, J.Q. Sun, P.R. Surjan, C. Valdemoro, S. Vogtner.
Imprint Berlin ; New York : Springer, 1999.

LOCATION CALL # STATUS MESSAGE
 OHIOLINK SPRINGER EBOOKS    ONLINE  
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LOCATION CALL # STATUS MESSAGE
 OHIOLINK SPRINGER EBOOKS    ONLINE  
View online
Series Topics in Current Chemistry ; 203.
Topics in current chemistry ; 203.
Subject Chemistry.
Chemistry, Organic.
Alt Name Surján, Péter R., 1955-
Vogtner, S.
Valdemoro, C.
Sun, J. Q.
Reggen, I.
Raimondi, M.
Pipek, J.
Paldus, J.
Noga, J.
Mezey, P. G.
March, Norman H. (Norman Henry), 1927-
Müller, H.
Klopper, W.
Kirtman, B.
Cooper, D. L.
Bogar, F.
Bartlett, Rodney J.
Kutzelnigg, Werner.
Ohio Library and Information Network.
Description viii, 232 pages : illustrations ; 25 cm.
Bibliography Note Includes bibliographical references.
Contents J. Paldus, X. Li: Electron Correlation in Small Molecules: Grafting CI onto CC -- W. Klopper, W. Kutzelnigg, H. Muller, J. Noga, S. Vogtner: Extremal Electron Pairs. II Application to Electron Correlation, Espescially the R12 Method -- J. Pipek, F. Bogar: Many-Body Pertubation Theory with Localized Orbitals -- Kapuy's Approach -- P.R. Surjan: An Introduction to the Theory of Geminals -- I. Roegen: Extended Geminal Models -- M. Raimondi, D.L. Cooper: Ab Initio Modern Valence Bond Theory -- J.-Q. Sun, R.J. Bartlett: Modern Correlation Theories for Extended, Periodic Systems -- B. Kirtmann: Local Space Approximation Methods for Correlated Electronic Structure Calculations in Large Delocalized Systems that are Loaclly Pertubed -- P.G. Mezey: Local Electron Densities and Functional Groups in Quantum Chemistry -- C. Valdemoro: Electron Correlation and Reduced Density Matrices -- N.H. March: Localization via Density Functionals.
Access Available to OhioLINK libraries
Summary This volume contains review and research articles in a field of quantum chemical methodology: the theory of electron correlation and the localization problem. Correlation energy (i.e., the energy beyond the Hartree-Fock) plays an important role in the theoretical description of several chemical processes (reactions, excitations, ionization) while localization in quantum chemistry usually emerges as a mathematical transformation of the wave function. The connection between these two issues is provided by the need to evaluate correlation energy for larger molecules, which is much easier in terms of localized contributions. The articles selected discuss copuled cluster, perturbational and geminal-based schemes, and cover wave function as well as density based approaches.
Reproduction Electronic reproduction. Columbus, OH : OhioLINK, 2008.
System Details Mode of access: World Wide Web
ISBN 3540657541
9783540657545
OCLC # 644366050
Link OhioLINK electronic book center (OCoLC)180989150.
SpringerLink (OCoLC)43927870.
Additional Format Printed edition: 9783540657545.



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