christof haettig

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David TewUniversity of OxfordZweryfikowany adres z chem.ox.ac.uk
Sonia CorianiDepartment of Chemistry, Technical University of DenmarkZweryfikowany adres z kemi.dtu.dk
Filip PawlowskiAuburn UniversityZweryfikowany adres z auburn.edu
Gunnar SchmitzRuhr University BochumZweryfikowany adres z rub.de
Benjamin Helmich-ParisJunior group leader, Max-Planck-Institut für KohlenforschungZweryfikowany adres z kofo.mpg.de
János G. ÁngyánCRM2 CNRS & Université de LorraineZweryfikowany adres z univ-lorraine.fr
Filipp FurcheProfessor of Chemistry, University of California, IrvineZweryfikowany adres z uci.edu
Berta Fernández RodríguezPhysical Chemistry Department. University of Santiago de CompostelaZweryfikowany adres z usc.es
Jeppe OlsenZweryfikowany adres z chem.au.dk
Marek SierkaOtto-Schott-Institut für Materialforschung, Friedrich-Schiller-Universität JenaZweryfikowany adres z uni-jena.de
Trygve HelgakerUniversity of OsloZweryfikowany adres z kjemi.uio.no
Rafał A. BachorzInstitue of Medical Biology of Polish Academy of SciencesZweryfikowany adres z cbm.pan.pl
Alireza Marefat KhahQuantum algorithm developer at Photonic Inc.Zweryfikowany adres z utoronto.ca
Jacob KongstedUniverity of Southern DenmarkZweryfikowany adres z sdu.dk
Andrzej L. SobolewskiProfesor of physics, Institute of Physics, Polish Academy of SciencesZweryfikowany adres z ifpan.edu.pl
Jógvan Magnus Haugaard OlsenTechnical University of DenmarkZweryfikowany adres z kemi.dtu.dk
Adelia AquinoAssociate Professor of Practice at Texas Tech University, Lubbock, TXZweryfikowany adres z ttu.edu
Hans LischkaProfessor of Chemistry, Texas Tech UniversityZweryfikowany adres z ttu.edu
Thomas Bondo PedersenHylleraas Centre for Quantum Molecular Sciences, Dept. of Chemistry, University of OsloZweryfikowany adres z kjemi.uio.no
Kenneth RuudHylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University ofZweryfikowany adres z uit.no

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christof haettig

Faculty for Chemistry and Biochemistry, RUB

Zweryfikowany adres z rub.de

Theoretical Chemistry Electronic Structure Theory Electronic Spectroscopy Catalysis Solvent effects


Tytuł Sortuj wg cytatów Sortuj wg roku Sortuj wg tytułu	Cytowane przez Cytowane przez	Rok
Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations F Weigend, A Köhn, C Hättig The Journal of chemical physics 116 (8), 3175-3183, 2002	2156	2002
CC2 excitation energy calculations on large molecules using the resolution of the identity approximation C Hättig, F Weigend The Journal of Chemical Physics 113 (13), 5154-5161, 2000	1630	2000
The D alton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014	1496	2014
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ... The Journal of chemical physics 152 (18), 2020	961	2020
Wiley Interdiscip F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend Rev.: Comput. Mol. Sci 4 (2), 91-100, 2014	875	2014
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 Kr C Hättig Physical Chemistry Chemical Physics 7 (1), 59-66, 2005	835	2005
Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn A Hellweg, C Hättig, S Höfener, W Klopper Theoretical Chemistry Accounts 117 (4), 587-597, 2007	830	2007
Response functions from Fourier component variational perturbation theory applied to a time‐averaged quasienergy O Christiansen, P Jørgensen, C Hättig International Journal of Quantum Chemistry 68 (1), 1-52, 1998	659	1998
Explicitly correlated electrons in molecules C Hattig, W Klopper, A Kohn, DP Tew Chemical reviews 112 (1), 4-74, 2012	579	2012
Turbomole F Furche, R Ahlrichs, C Hättig, W Klopper, M Sierka, F Weigend Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (2), 91-100, 2014	566	2014
Geometry optimizations with the coupled-cluster model CC2 using the resolution-of-the-identity approximation C Hättig The Journal of chemical physics 118 (17), 7751-7761, 2003	552	2003
Structure optimizations for excited states with correlated second-order methods: CC2 and ADC (2) C Hättig Advances in quantum chemistry 50, 37-60, 2005	528	2005
Transition moments and excited-state first-order properties in the coupled-cluster model CC2 using the resolution-of-the-identity approximation C Hättig, A Köhn The Journal of chemical physics 117 (15), 6939-6951, 2002	504	2002
Analytic gradients for excited states in the coupled-cluster model CC2 employing the resolution-of-the-identity approximation A Köhn, C Hättig The Journal of chemical physics 119 (10), 5021-5036, 2003	445	2003
Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states A Hellweg, SA Grün, C Hättig Physical Chemistry Chemical Physics 10 (28), 4119-4127, 2008	367	2008
DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001	351	2001
Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: The role of electron-driven proton-transfer processes AL Sobolewski, W Domcke, C Hättig Proceedings of the National Academy of Sciences 102 (50), 17903-17906, 2005	341	2005
Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12 C Hättig, DP Tew, A Köhn The Journal of chemical physics 132 (23), 2010	332	2010
Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets DP Tew, W Klopper, C Neiss, C Hättig Physical Chemistry Chemical Physics 9 (16), 1921-1930, 2007	293	2007
Distributed memory parallel implementation of energies and gradients for second-order Møller–Plesset perturbation theory with the resolution-of-the-identity approximation C Hättig, A Hellweg, A Köhn Physical Chemistry Chemical Physics 8 (10), 1159-1169, 2006	283	2006

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