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Wennmohs, Frank, Neese, Frank (2008) A comparative study of single reference correlation methods of the coupled-pair type. Chemical Physics, 343. 217-230 doi:10.1016/j.chemphys.2007.07.001

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Reference TypeJournal (article/letter/editorial)
TitleA comparative study of single reference correlation methods of the coupled-pair type
JournalChemical Physics
AuthorsWennmohs, FrankAuthor
Neese, FrankAuthor
Year2008 (January)Volume343
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.07.001Search in ResearchGate
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Mindat Ref. ID5961398Long-form Identifiermindat:1:5:5961398:5
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Full ReferenceWennmohs, Frank, Neese, Frank (2008) A comparative study of single reference correlation methods of the coupled-pair type. Chemical Physics, 343. 217-230 doi:10.1016/j.chemphys.2007.07.001
Plain TextWennmohs, Frank, Neese, Frank (2008) A comparative study of single reference correlation methods of the coupled-pair type. Chemical Physics, 343. 217-230 doi:10.1016/j.chemphys.2007.07.001
In(n.d.) Chemical Physics Vol. 343. Elsevier BV

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Neese, Frank, Wennmohs, Frank, Hansen, Andreas (2009) Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method. The Journal of Chemical Physics, 130 (11). 114108pp. doi:10.1063/1.3086717
Neese, Frank, Wennmohs, Frank, Hansen, Andreas, Becker, Ute (2009) Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange. Chemical Physics, 356. 98-109 doi:10.1016/j.chemphys.2008.10.036
Hansen, Andreas, Liakos, Dimitrios G., Neese, Frank (2011) Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals. The Journal of Chemical Physics, 135 (21). 214102pp. doi:10.1063/1.3663855
Neese, Frank, Wennmohs, Frank, Becker, Ute, Riplinger, Christoph (2020) The ORCA quantum chemistry program package. The Journal of Chemical Physics, 152 (22) 224108pp. doi:10.1063/5.0004608
Guo, Yang, Becker, Ute, Neese, Frank (2018) Comparison and combination of “direct” and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled cluster theories. The Journal of Chemical Physics, 148 (12). 124117pp. doi:10.1063/1.5021898
David, Grégoire, Wennmohs, Frank, Neese, Frank, Ferré, Nicolas (2018) Chemical Tuning of Magnetic Exchange Couplings Using Broken-Symmetry Density Functional Theory. Inorganic Chemistry, 57 (20) 12769-12776 doi:10.1021/acs.inorgchem.8b01970
Dutta, Achintya Kumar, Neese, Frank, Izsák, Róbert (2016) Towards a pair natural orbital coupled cluster method for excited states. The Journal of Chemical Physics, 145 (3). 34102pp. doi:10.1063/1.4958734
Lechner, Marvin H., Papadopoulos, Anastasios, Sivalingam, Kantharuban, Auer, Alexander A., Koslowski, Axel, Becker, Ute, Wennmohs, Frank, Neese, Frank (2024) Code generation in ORCA: progress, efficiency and tight integration. Physical Chemistry Chemical Physics, 26 (21) 15205-15220 doi:10.1039/d4cp00444b
Liakos, Dimitrios G., Neese, Frank (2012) Improved Correlation Energy Extrapolation Schemes Based on Local Pair Natural Orbital Methods. The Journal of Physical Chemistry A, 116 (19). 4801-4816 doi:10.1021/jp302096v
Kollmar, Christian, Neese, Frank (2010) The coupled electron pair approximation: variational formulation and spin adaptation. Molecular Physics, 108. 2449-2458 doi:10.1080/00268976.2010.496743
Riplinger, Christoph, Neese, Frank (2013) An efficient and near linear scaling pair natural orbital based local coupled cluster method. The Journal of Chemical Physics, 138 (3). 34106pp. doi:10.1063/1.4773581
 
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