A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems. J. Chem. Phys., (143)8:84106, 2015. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
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
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
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
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
Ab initio calculation of the vibrational and electronic spectra of trans- and cis-azobenzene. J. Am. Chem. Soc., (125)32:9821–9827, 2003. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Ab initio modeling of excitonic and Charge-transfer states in organic semiconductors: The PTB1/PCBM low band gap system. J. Am. Chem. Soc., (135)49:18252–18255, 2013. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Ab initio studies of triplet-state properties for organic semiconductor molecules. J. Phys. Chem. C, (116)29:15203–15217, 2012. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Analytic gradients for excited states in the coupled-cluster model CC2 employing the resolution-of-the-identity approximation. J. Chem. Phys., (119)10:5021–5036, 2003. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Can coupled-cluster theory treat conical intersections?. J. Chem. Phys., (127)4:44105, 2007. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Combined experimental and theoretical study of the vibronic spectra of perylenecarboximides. J. Phys. Chem. B, (114)4:1638–1647, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
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
Communication: Restoring full size extensivity in internally contracted multireference coupled cluster theory. J. Chem. Phys., (137)13:131103, 2012. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
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
Complete basis set results in electron correlation methods using F12 theory. Chem. Model., (10):32-63, 2013. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
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
Distributed memory parallel implementation of energies and gradients for second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation. Phys. Chem. Chem. Phys., (8)10:1159–1169, 2006. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? the case of atomization energies. J. Chem. Phys., (149)15:154109, 2018. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations. J. Chem. Phys., (116)8:3175–3183, 2002. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Embedded Multireference Coupled Cluster Theory. J. Chem. Theory Comput., (14)2:693–709, 2018. [PUMA: chemie imported koehn werner köhn from:alexanderdenzel theoretische stuttgart theochem] URL