Theory 2.5 Director: Walter Thiel (born 1949)

Source URL: www.kofo.mpg.de

• Chemistry
• 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

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

Source URL: wwwuser.gwdg.de

• Chemistry
• Post-HartreeFock methods
• Computational chemistry
• Theoretical chemistry
• Coupled cluster
• Quadratic configuration interaction
• Ab initio quantum chemistry methods
• Davidson correction
• Configuration interaction
• Molecular vibration

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

Source URL: www.cond-mat.de

• Coupled cluster
• Quantum chemistry
• Dynamical system

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

Source URL: www.msg.ameslab.gov

• Quantum 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

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

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

• Post-HartreeFock methods
• Theoretical chemistry
• Computational chemistry
• Density functional theory
• Coupled cluster
• CH5
• MllerPlesset perturbation theory
• MPEG-1 Audio Layer II

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, )

Source URL: www.cfn.kit.edu

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

Source URL: www.msg.ameslab.gov

• Chemistry
• Computational chemistry
• GAMESS
• Post-HartreeFock methods
• Fragment molecular orbital
• Theoretical chemistry
• Quantum chemistry
• Ab initio quantum chemistry methods
• Coupled cluster
• PQS
• MOLCAS

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

Source URL: www.dfg-spp1324.de

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

Source URL: www.msg.ameslab.gov

• Quantum 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

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

Source URL: old.iupac.org

• Computational 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