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" Electron correlation methodology / "
Angela K. Wilson, editor, Kirk A. Peterson, editor ; sponsored by the ACS divisions of Physical Chemistry and Computers in Chemistry
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BL
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| Record Number
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599636
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b428855
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| Title & Author
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Electron correlation methodology /\ Angela K. Wilson, editor, Kirk A. Peterson, editor ; sponsored by the ACS divisions of Physical Chemistry and Computers in Chemistry
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| Publication Statement
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Washington, DC :: American Chemical Society ;[Oxford] :: Distributed by Oxford University Press,, c2007
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| Series Statement
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ACS symposium series ;
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x, 218 p. :: ill. ;; 24 cm
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| ISBN
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9780841238435 (alk. paper)
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: 084123843X (alk. paper)
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| Bibliographies/Indexes
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Includes bibliographical references and indexes
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| Contents
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Explicitly correlated basis functions for large molecules / Claire C. M. Samson and Wirm Klopper -- Uniform density limit of exchange-correlation energy functionals / John P. Perdew, Jianmin Tao, and Stephan Kümmel -- Self-consistent Hartree-Fock-Wigner calculations: a two-electron-density functional theory / Darragh P. O'Neill and Peter M. W. Gill -- New alternatives for accurate electronic structure calculations of potential energy surfaces involving bond breaking / Piotr Piecuch ... [et al.] -- Bond breaking in quantum chemistry: a comparison of single-and multi-reference methods / C. David Sherrill ... [et al.] -- Breaking the curse of the non-dynamical correlation problem: the spin-flip method / Anna I. Krylov, Lyudmila V. Slipchenko, and Sergey V. Levchenko -- Economical description of electron correlation / Laimutis Bytautas and Klaus Ruedenberg -- Correlation consistent basis sets with relativistic effective core potentials: the transition metal elements Y and Hg / Kirk A. Peterson -- Multilevel methods for thermochemistry and thermochemical kinetics / Benjamin J. Lynch and Donald G. Truhlar -- A nonlocal energy functional derived from the fluctuation-dissipation theorem / Katharine L. C. Hunt -- The protonation site of aniline revisited: a 'torture test' for electron correlation methods / A. Daniel Boese ... [et al.] -- Equilibrium structure of the silicon trimer / John F. Stanton
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| Subject
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Electron configuration, Congresses
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| Dewey Classification
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530.4/11
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| LC Classification
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QC176.8.E4E33 2007
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QC176.8.E4E33 2007
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| Added Entry
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Wilson, Angela K
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Peterson, Kirk A
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American Chemical Society., Division of Physical Chemistry
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American Chemical Society., Division of Computers in Chemistry
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