Coverart for item
The Resource Electron correlation methodology, Angela K. Wilson, editor, Kirk A. Peterson, editor ; sponsored by the ACS divisions of Physical Chemistry and Computers in Chemistry, (electronic resource)

Electron correlation methodology, Angela K. Wilson, editor, Kirk A. Peterson, editor ; sponsored by the ACS divisions of Physical Chemistry and Computers in Chemistry, (electronic resource)

Label
Electron correlation methodology
Title
Electron correlation methodology
Statement of responsibility
Angela K. Wilson, editor, Kirk A. Peterson, editor ; sponsored by the ACS divisions of Physical Chemistry and Computers in Chemistry
Contributor
Subject
Genre
Language
eng
Member of
Cataloging source
DLC
Dewey number
530.4/11
Illustrations
illustrations
Index
index present
LC call number
QC176.8.E4
LC item number
E33 2007
Literary form
non fiction
Nature of contents
bibliography
http://library.link/vocab/relatedWorkOrContributorName
  • Wilson, Angela K
  • Peterson, Kirk A
  • American Chemical Society
  • American Chemical Society
Series statement
ACS symposium series
Series volume
958
http://library.link/vocab/subjectName
Electron configuration
Label
Electron correlation methodology, Angela K. Wilson, editor, Kirk A. Peterson, editor ; sponsored by the ACS divisions of Physical Chemistry and Computers in Chemistry, (electronic resource)
Instantiates
Publication
Note
Title from PDF title page (ACS publications, viewed Aug 5, 2009)
Bibliography note
Includes bibliographical references and indexes
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
429264373
Extent
1 online resource (x, 218 pages)
Form of item
electronic
Isbn
9780841220768
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other physical details
illustrations
Specific material designation
remote
System control number
(OCoLC)429264373
Label
Electron correlation methodology, Angela K. Wilson, editor, Kirk A. Peterson, editor ; sponsored by the ACS divisions of Physical Chemistry and Computers in Chemistry, (electronic resource)
Publication
Note
Title from PDF title page (ACS publications, viewed Aug 5, 2009)
Bibliography note
Includes bibliographical references and indexes
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
429264373
Extent
1 online resource (x, 218 pages)
Form of item
electronic
Isbn
9780841220768
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other physical details
illustrations
Specific material designation
remote
System control number
(OCoLC)429264373

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