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CC-LRTCoupled-Cluster(-based) Linear Response Theory
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Objective: This project aims at the development of a novel toolbox of ab-initio methods that approximate the true many-electron wavefunction using systematically improvable perturbation and coupled-cluster theories.
The topics include principles of density functional theory and equilibrium and non-equilibrium applications, coupled-cluster calculations for large molecular and extended systems, effective low-energy Hamiltonians in condensed matter physics and chemistry, computational methods for modeling free-radical polymerization, and calculating molecular conductance.