Post-HartreeFock methods

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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
3Post-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
4Chemistry / 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
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