Coupled cluster

Results: 27



#Item
1Chemistry / Theoretical chemistry / Computational chemistry / Post-HartreeFock methods / Molecular modelling / Ab initio quantum chemistry methods / Max Planck Institute for Coal Research / Semi-empirical quantum chemistry method / Coupled cluster / Molecular dynamics / Quantum chemistry / Density functional theory

Theory 2.5 Director: Walter Thiel (born 1949)

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Source URL: www.kofo.mpg.de

Language: English - Date: 2014-11-10 05:49:05
2Chemistry / Post-HartreeFock methods / Computational chemistry / Theoretical chemistry / Coupled cluster / Quadratic configuration interaction / Ab initio quantum chemistry methods / Davidson correction / Configuration interaction / Molecular vibration

CH+5: The neverending story or the final word? Peter R. Schreiner, SeungJoon Kim, Henry F. Schaefer, and Paul von Ragué Schleyer Citation: J. Chem. Phys. 99, ); doi: View online: http://dx.doi

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Source URL: wwwuser.gwdg.de

Language: English
3Coupled cluster / Quantum chemistry / Dynamical system

Making Use of Self-Energy Functionals: The Variational Cluster Approximation

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Source URL: www.cond-mat.de

Language: English - Date: 2014-09-03 06:19:52
4Quantum chemistry / Computational chemistry / Theoretical chemistry / Multi-configurational self-consistent field / Electronic correlation / GAMESS / Complete active space / Coupled cluster / MOLCAS / Configuration interaction / Ab initio quantum chemistry methods / NWChem

ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY, IOWA STATE UNIVERSITY, AMES, IA 50011

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Source URL: www.msg.ameslab.gov

Language: English - Date: 2013-11-12 12:28:35
5Post-HartreeFock methods / Theoretical chemistry / Computational chemistry / Density functional theory / Coupled cluster / CH5 / MllerPlesset perturbation theory / MPEG-1 Audio Layer II

J. Phys. Chem. A 2008, 112, 12510–12517 Microsolvation of Protonated Methane: Structures and Energetics of CH5+(H2)n Alexander Witt,* Sergei D. Ivanov, Harald Forbert, and Dominik Marx

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Source URL: ftp.theochem.ruhr-uni-bochum.de

Language: English - Date: 2008-11-27 03:22:39
6

C3.3 (W. Klopper) [C3.3:1] H. Fliegl, C. Hättig, and W. Klopper, Coupled-cluster response theory with linearr12 corrections: The CC2-R12 model for excitation energies, J. Chem. Phys. 124, )

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Source URL: www.cfn.kit.edu

Language: English - Date: 2015-04-30 07:43:53
    7Chemistry / Computational chemistry / GAMESS / Post-HartreeFock methods / Fragment molecular orbital / Theoretical chemistry / Quantum chemistry / Ab initio quantum chemistry methods / Coupled cluster / PQS / MOLCAS

    AN INTRODUCTION TO GAMESS See: www.msg.chem.iastate.edu GAMESS

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    Source URL: www.msg.ameslab.gov

    Language: English - Date: 2015-03-03 15:53:44
    8

    DFG-Schwerpunktprogramm 1324 Extraktion quantifizierbarer Information aus komplexen Systemen” ” Error Estimates for the Coupled Cluster Method T. Rohwedder, R. Schneider

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    Source URL: www.dfg-spp1324.de

    Language: English
      9Quantum chemistry / Atomic physics / Computational physics / Fragment molecular orbital / GAMESS / Coupled cluster / Multi-configurational self-consistent field / Electronic correlation / Møller–Plesset perturbation theory / Chemistry / Computational chemistry / Theoretical chemistry

      Input DescriptionDecember 2014) ********************************* *

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      Source URL: www.msg.ameslab.gov

      Language: English - Date: 2015-01-22 16:25:52
      10Computational chemistry / Hartree–Fock method / Crystal / Molecular orbital theory / Ab initio quantum chemistry methods / Electronic correlation / Coupled cluster / Molecular orbital / Full configuration interaction / Chemistry / Quantum chemistry / Theoretical chemistry

      Pure & Appl. Chem.,Vol. 68, No. 2, pp, 1996. Printed in Great Britain. INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY PHYSICAL CHEMISTRY DIVISION

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      Source URL: old.iupac.org

      Language: English - Date: 2004-06-03 11:40:20
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