Publications

David J. Coughtrie, Robin Giereth, Daniel Kats, Hans Joachim Werner, und Andreas Köhn. Embedded Multireference Coupled Cluster Theory. J. Chem. Theory Comput., (14)2:693–709, 2018. [PUMA: chemie from:alexanderdenzel imported koehn köhn stuttgart theochem theoretische werner] URL

Andreas Köhn. Complete basis set results in electron correlation methods using F12 theory. Chem. Model., (10):32-63, 2013. [PUMA: chemie from:alexanderdenzel imported koehn köhn stuttgart theochem theoretische] URL

Suraj Mondal, Shuvankar Mandal, Luca Carrella, Arpita Jana, Michel Fleck, Andreas Köhn, Eva Rentschler, und Sasankasekhar Mohanta. A series of MIICuII3stars (M = Mn, Ni, Cu, Zn) exhibiting unusual magnetic properties. Inorg. Chem., (54)1:117–131, 2015. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Mathias Pabst, Andreas Köhn, Jürgen Gauss, und John F. Stanton. A worrisome failure of the CC2 coupled-cluster method when applied to ozone. Chem. Phys. Lett., (495)1-3:135–140, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Matthias Hanauer, und Andreas Köhn. Response properties with explicitly correlated coupled-cluster methods using a Slater-type correlation factor and cusp conditions. J. Chem. Phys., (131)12:124118, 2009. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Bernd Lunkenheimer, und Andreas Köhn. Solvent effects on electronically excited states using the conductor-like screening model and the second-order correlated method ADC(2). J. Chem. Theory Comput., (9)2:977–994, 2013. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Christof Hättig, David P. Tew, und Andreas Köhn. Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12. J. Chem. Phys., (132)23:231102, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Andreas Köhn, und David P. Tew. Towards the Hartree-Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a complementary auxiliary basis set. J. Chem. Phys., (132)2:24101, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Andreas Köhn. A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory. J. Chem. Phys., (130)10:104104, 2009. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Andreas Köhn. Explicitly correlated connected triple excitations in coupled-cluster theory. J. Chem. Phys., (130)13:131101, 2009. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Andreas Köhn, und Christof Hättig. Comment on 'efficient calculation of canonical MP2 energies '［P. Pulay, S. Saebø, K. Wolinski, Chem. Phys. Lett. 344 (2001) 543-552］. Chem. Phys. Lett., (358)3-4:350–353, 2002. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Francesco A. Evangelista, Matthias Hanauer, Andreas Köhn, und Jürgen Gauss. A sequential transformation approach to the internally contracted multireference coupled cluster method. J. Chem. Phys., (136)20:204108, 2012. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Filippo Lipparini, Till Kirsch, Andreas Köhn, und Jürgen Gauss. Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium. J. Chem. Theory Comput., (13)7:3171–3184, 2017. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Pradipta Kumar Samanta, Debashis Mukherjee, Matthias Hanauer, und Andreas Köhn. Excited states with internally contracted multireference coupled-cluster linear response theory. J. Chem. Phys., (140)13:134108, 2014. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Andreas Köhn, und David P. Tew. Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12). J. Chem. Phys., (133)17:174117, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Inga Loke, Guillaume Bentzinger, Julia Holz, Aruna Raja, Aman Bhasin, Florenz Sasse, Andreas Köhn, Rainer Schobert, und Sabine Laschat. Synthesis of the AB ring system of clifednamide utilizing Claisen rearrangement and Diels-Alder reaction as key steps. Org. Biomol. Chem., (14)3:884–894, 2016. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Detlef Schooss, Stefan Gilb, Julian Kaller, Manfred M. Kappes, Filipp Furche, Andreas Köhn, Klaus May, und Reinhart Ahlrichs. Photodissociation spectroscopy of Ag₄⁺(N₂)ₘ, m = 0-4. J. Chem. Phys., (113)13:5361–5371, 2000. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Burkhard Fückel, Andreas Köhn, Michael E. Harding, Gregor Diezemann, Gerald Hinze, Thomas Basch́, und Jürgen Gauss. Theoretical investigation of electronic excitation energy transfer in bichromophoric assemblies. J. Chem. Phys., (128)7:74505, 2008. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL

Wenlan Liu, Lars Müller, Shuangying Ma, Stephen Barlow, Seth R. Marder, Wolfgang Kowalsky, Andreas Köhn, und Robert Lovrincic. The Origin of the π-π Spacing Change upon Doping of Semiconducting Polymers. J. Phys. Chem. C, (122):27983-27990, 2018. [PUMA: chemie from:alexanderdenzel imported koehn köhn stuttgart theochem theoretische] URL

Andreas Köhn, und Jeppe Olsen. Coupled-cluster with active space selected higher amplitudes: Performance of seminatural orbitals for ground and excited state calculations. J. Chem. Phys., (125)17:174110, 2006. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL