Research Catalog

Electron correlation methodology

Title
Electron correlation methodology / Angela K. Wilson, editor, Kirk A. Peterson, editor ; sponsored by the ACS divisions of Physical Chemistry and Computers in Chemistry.
Publication
Washington, DC : American Chemical Society ; [Oxford] : Distributed by Oxford University Press, [2007], ©2007.
Supplementary Content
Publisher description

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Additional Authors
  • Wilson, Angela K.
  • Peterson, Kirk A.
  • American Chemical Society. Division of Physical Chemistry.
  • American Chemical Society. Division of Computers in Chemistry.
Description
x, 218 pages : illustrations; 24 cm.
Series Statement
ACS symposium series ; 958
Uniform Title
ACS symposium series ; 958.
Subject
Bibliography (note)
  • Includes bibliographical references and indexes.
Contents
1. Explicitly correlated basis functions for large molecules / Claire C. M. Samson and Wim Klopper -- 2. Uniform density limit of exchange-correlation energy functionals / John P. Perdew, Jianmin Tao and Stephan Kummel -- 3. Self-consistent Hartree-Foek-Wigner calculations : a two- electron-density functional theory / Darragh P. O'Neill and Peter M. W. Gill -- 4. New alternatives for accurate electronic structure calculations of potential energy surfaces involving bond breaking / Piotr Piecuch, Ian S. O. Pimienta, Peng-Dong Fan and Karol Kowalski -- 5. Bond breaking in quantum chemistry : a comparison of single- and multi-reference methods / C. David Sherrill, Antara Dutta, Micah L. Abrams and John S. Sears -- 6. Breaking the curse of the non-dynamical correlation problem : the spin-flip method / Anna I. Krylov, Lyudmila V. Slipchenko and Sergey V. Levchenko -- 7. Economical description of electron correlation / Laimutis Bytautas and Klaus Ruedenberg -- 8. Correlation consistent basis sets with relativistic effective core potentials : the transition metal elements Y and Hg / Kirk A. Peterson -- 9. Multilevel methods for thermochemistry and thermochemical kinetics / Benjamin J. Lynch and Donald G. Truhlar -- 10. A nonlocal energy functional derived from the fluctuation- dissipation theorem / Katharine L. C. Hunt -- 11. The protonation site of aniline revisited : a 'torture test' for electron correlation methods / A. Daniel Boese, Jan M. L. Martin, Frank De Proft and Paul Geerlings -- 12. Equilibrium structure of the silicon trimer / John F. Stanton.
ISBN
  • 9780841238435 (alk. paper)
  • 084123843X (alk. paper)
LCCN
2006052651
OCLC
  • ocm74966739
  • 74966739
  • SCSB-5362415
Owning Institutions
Columbia University Libraries