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Christof Hättig
Researcher at Ruhr University Bochum
Publications - 200
Citations - 17208
Christof Hättig is an academic researcher from Ruhr University Bochum. The author has contributed to research in topics: Coupled cluster & Excited state. The author has an hindex of 56, co-authored 191 publications receiving 15284 citations. Previous affiliations of Christof Hättig include University of Bonn & Aarhus University.
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Multiphoton transition moments and absorption cross sections in coupled cluster response theory employing variational transition moment functionals
TL;DR: In this paper, the first residues of the ground state response functions were used to derive the transition moments for n-photon excitations, which were then used for the derivation of multiphoton transition moments.
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Scaled opposite-spin CC2 for ground and excited states with fourth order scaling computational costs
TL;DR: An implementation of scaled opposite-spin CC2 (SOS-CC2) for ground and excited state energies is presented that requires only fourth order scaling computational costs and the time-determining fifth order scaling steps in the algorithm can be replaced using a "resolution of the identity" approximation.
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Local pair natural orbitals for excited states.
Benjamin Helmich,Christof Hättig +1 more
TL;DR: It is demonstrated that the number of significant excited state PNOs scales asymptotically linearly with the system size in the worst case of completely delocalized excitations and sub-linearly whenever the chromophore does not increase with theSystem size.
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PERI-CC2: A Polarizable Embedded RI-CC2 Method.
Tobias Schwabe,Kristian Sneskov,Jógvan Magnus Haugaard Olsen,Jacob Kongsted,Ove Christiansen,Christof Hättig +5 more
TL;DR: The need to explicitly incorporate several water molecules into the region treated by quantum mechanics in order to obtain a reliable and accurate description of the physical effects when specific solute/solvent interactions as, e.g., hydrogen-bonds are involved is discussed.
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The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He2 and Ar2
Christof Hättig,Helena Larsen,Jeppe Olsen,Poul Jo,rgensen,Henrik Koch,Berta Fernández,Antonio Rizzo +7 more
TL;DR: In this article, the frequency-dependent interaction induced polarizabilities and second hyperpolarizabilities were calculated for He2 at the coupled cluster singles and doubles and full configuration interaction levels.