Optimization of auxiliary basis sets for RI-MP2 and RI-CC2 calculations: Core-valence and quintuple-ζ basis sets for H to Ar and QZVPP basis sets for Li to KrHÄTTIG, Christof.PCCP. Physical chemistry chemical physics (Print). 2005, Vol 7, Num 1, pp 59-66, issn 1463-9076, 8 p.Article

Accurate coupled cluster calculation of nonlinear optical properties of moleculesHÄTTIG, Christof.Nonlinear optical responses of molecules, solids and liquids : methods and applications 2003. 2003, pp 1-37, isbn 81-7736-163-5, 37 p.Book Chapter

On the nature of the low-lying singlet states of 4-(Dimethyl-amino)benzonitrileKÖHN, Andreas; HÄTTIG, Christof.Journal of the American Chemical Society. 2004, Vol 126, Num 23, pp 7399-7410, issn 0002-7863, 12 p.Article

A combined experimental and computational study on the adsorption and reactions of NO on rutile TiO₂STODT, Dorothee; NOEI, Heshmat; HÄTTIG, Christof et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 2, pp 466-472, issn 1463-9076, 7 p.Article

Calculation of two-photon absorption strengths with the approximate coupled cluster singles and doubles model CC2 using the resolution-of-identity approximationFRIESE, Daniel H; HÄTTIG, Christof; RUUD, Kenneth et al.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 3, pp 1175-1184, issn 1463-9076, 10 p.Article

Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited statesHELLWEG, Arnim; GRÜN, Sarah A; HÄTTIG, Christof et al.PCCP. Physical chemistry chemical physics (Print). 2008, Vol 10, Num 28, pp 4119-4127, issn 1463-9076, 9 p.Article

Auxiliary basis sets for density-fitted correlated wavefunction calculations: weighted core-valence and ECP basis sets for post-d elementsHATTIG, Christof; SCHMITZ, Gunnar; KOSSMANN, Jörg et al.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 18, pp 6549-6555, issn 1463-9076, 7 p.Article

Intramolecular charge-transfer mechanism in quinolidines : The role of the amino twist angleHÄTTIG, Christof; HELLWEG, Arnim; KÖHN, Andreas et al.Journal of the American Chemical Society. 2006, Vol 128, Num 49, pp 15672-15682, issn 0002-7863, 11 p.Article

Comment on: Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets by D. P. Tew, et alTEW, David P; KLOPPER, Wim; NEISS, Christian et al.PCCP. Physical chemistry chemical physics (Print). 2008, Vol 10, Num 41, pp 6325-6327, issn 1463-9076, 3 p.Article

Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis setsTEW, David P; KLOPPER, Wim; NEISS, Christian et al.PCCP. Physical chemistry chemical physics (Print). 2007, Vol 9, Num 16, pp 1921-1930, issn 1463-9076, 10 p.Article