Orbital-optimized coupled-cluster theory does not reproduce the full configuration-interaction limit. J. Chem. Phys., (122)8:84116, 2005. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Explicitly correlated electrons in molecules. Chem. Rev., (112)1:4–74, 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
Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations. J. Chem. Phys., (133)17:174118, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Non-decarbonylative photochemical versus thermal activation of Bu₄N［Fe(CO)₃(NO)］ - the Fe-catalyzed Cloke-Wilson rearrangement of vinyl and arylcyclopropanes. Chem. Sci., (6)12:7034–7043, 2015. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
State-specific multireference coupled-cluster theory. Wiley Interdiscip. Rev. Comput. Mol. Sci., (3)2:176–197, 2013. [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
The trust-region self-consistent field method in Kohn-Sham density-functional theory. J. Chem. Phys., (123)7:74103, 2005. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Theoretical study on clusters of magnesium. Phys. Chem. Chem. Phys., (3)5:711–719, 2001. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Fast and accurate predictions of covalent bonds in chemical space. J. Chem. Phys., (144)172016. [PUMA: chemie from:alexanderdenzel imported stuttgart theochem theoretische] URL
Excited states of ［3.3］(4,4′)biphenylophane: The role of charge-transfer excitations in dimers with π-π interaction. J. Phys. Chem. A, (114)4:1639–1649, 2010. [PUMA: chemie from:alexanderdenzel imported koehn köhn stuttgart theochem theoretische] 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
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
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
Transition moments and excited-state first-order properties in the coupled-cluster model CC2 using the resolution-of-the-identity approximation. J. Chem. Phys., (117)15:6939–6951, 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
The temperature dependence of vibronic lineshapes: Linear electron-phonon coupling. J. Chem. Phys., (141)15:154110, 2014. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
How to Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment?. J. Chem. Theory Comput., (13)11:5291–5316, 2017. [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
Intramolecular Charge-Transfer Excited-State Processes in 4-(N, N -Dimethylamino)benzonitrile: The Role of Twisting and the πσ∗ State. J. Phys. Chem. A, (119)24:6232–6243, 2015. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL