The Centre for Theoretical and Computational Chemistry (CTCC)
Centre for Theoretical and Computational Chemistry (CTCC) was established in 2007 as a Centre of Excellence by the Research Council of Norway for a period of 10 years. Led by 10 principal scientists, the Centre comprise about 50 members, in addition to visiting researchers from all over the world. The research carried out by the CTCC covers a very broad range. Theory and method development and application projects are equally emphasized at the Centre. Quantum chemistry method development will use a broad range of techniques including linear scaling and periodic boundary condition methods, multiwavelet basis functions, and subsystem optimization. Application projects cover transition metal chemistry, homogeneous and heterogeneous catalysis, bioinorganic chemistry, photochemistry, gas-phase chemistry and reaction dynamics. A number of projects will also be closely coupled with ongoing experimental work at the two Universities.
Mapping the d−d Excited-State Manifolds of Transition Metal β-Diiminato−Imido Complexes. Comparison of Density Functional Theory and CASPT2 Energetics
Ghosh, Abhik;Gonzalez, Emmanuel;Tangen, Espen;Roos, Bjørn
Journal of Physical Chemistry A
Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models (2009)
Bast, Radovan;Thorvaldsen, Andreas johan;Ringholm, Magnus;Ruud, Kenneth