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Friedrich, Joachim, Hanrath, Michael, Dolg, Michael (2008) Using symmetry in the framework of the incremental scheme: Molecular applications. Chemical Physics, 346. 266-274 doi:10.1016/j.chemphys.2008.01.054

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Reference TypeJournal (article/letter/editorial)
TitleUsing symmetry in the framework of the incremental scheme: Molecular applications
JournalChemical Physics
AuthorsFriedrich, JoachimAuthor
Hanrath, MichaelAuthor
Dolg, MichaelAuthor
Year2008 (May)Volume346
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.01.054Search in ResearchGate
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Mindat Ref. ID5961515Long-form Identifiermindat:1:5:5961515:0
GUID0
Full ReferenceFriedrich, Joachim, Hanrath, Michael, Dolg, Michael (2008) Using symmetry in the framework of the incremental scheme: Molecular applications. Chemical Physics, 346. 266-274 doi:10.1016/j.chemphys.2008.01.054
Plain TextFriedrich, Joachim, Hanrath, Michael, Dolg, Michael (2008) Using symmetry in the framework of the incremental scheme: Molecular applications. Chemical Physics, 346. 266-274 doi:10.1016/j.chemphys.2008.01.054
In(n.d.) Chemical Physics Vol. 346. Elsevier BV

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Friedrich, Joachim, Hanrath, Michael, Dolg, Michael (2007) Error analysis of incremental electron correlation calculations and applications to clusters and potential energy surfaces. Chemical Physics, 338. 33-43 doi:10.1016/j.chemphys.2007.07.021
Friedrich, Joachim, Walczak, Katarzyna, Dolg, Michael (2009) Evaluation of core and core–valence correlation contributions using the incremental scheme. Chemical Physics, 356. 47-53 doi:10.1016/j.chemphys.2008.10.030
Friedrich, Joachim, Hanrath, Michael, Dolg, Michael (2007) Fully automated implementation of the incremental scheme: Application to CCSD energies for hydrocarbons and transition metal compounds. The Journal of Chemical Physics, 126 (15). 154110pp. doi:10.1063/1.2721538
Friedrich, Joachim, Hanrath, Michael, Dolg, Michael (2010) Fully Automated Implementation of the Incremental Scheme for Correlation Energies. Zeitschrift für Physikalische Chemie, 224 (3). 513-525 doi:10.1524/zpch.2010.6121
Friedrich, Joachim, Hanrath, Michael, Dolg, Michael (2007) Energy Screening for the Incremental Scheme:  Application to Intermolecular Interactions. The Journal of Physical Chemistry A, 111 (39). 9830-9837 doi:10.1021/jp072256y
Walczak, Katarzyna, Friedrich, Joachim, Dolg, Michael (2009) On the incremental evaluation of BSSE-free interaction energies. Chemical Physics, 365. 38-43 doi:10.1016/j.chemphys.2009.09.018
Friedrich, Joachim, Tew, David P., Klopper, Wim, Dolg, Michael (2010) Automated incremental scheme for explicitly correlated methods. The Journal of Chemical Physics, 132 (16). 164114pp. doi:10.1063/1.3394017
Walczak, Katarzyna, Friedrich, Joachim, Dolg, Michael (2010) Fully automated incremental evaluation of MP2 and CCSD(T) core, core-valence and valence correlation energies. Chemical Physics, 376. 36-45 doi:10.1016/j.chemphys.2010.07.032
Friedrich, Joachim, Hanrath, Michael, Dolg, Michael (2008) Evaluation of Incremental Correlation Energies for Open-Shell Systems: Application to the Intermediates of the 4-Exo Cyclization, Arduengo Carbenes and an Anionic Water Cluster. The Journal of Physical Chemistry A, 112 (37). 8762-8766 doi:10.1021/jp8028006
Friedrich, Joachim, Coriani, Sonia, Helgaker, Trygve, Dolg, Michael (2009) Implementation of the incremental scheme for one-electron first-order properties in coupled-cluster theory. The Journal of Chemical Physics, 131 (15). 154102pp. doi:10.1063/1.3243864
Friedrich, Joachim, Dolg, Michael (2008) Implementation and performance of a domain-specific basis set incremental approach for correlation energies: Applications to hydrocarbons and a glycine oligomer. The Journal of Chemical Physics, 129 (24). 244105pp. doi:10.1063/1.3043797
 
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