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List of works by Thomas Kjærgaard

CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx). ⬇️

scientific article published in April 2017

Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model

scientific article published on 01 February 2016

Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context

scientific article published in May 2016

Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories

scientific article published on 6 July 2009

Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting

scientific article published in December 2016

Orbital spaces in the divide-expand-consolidate coupled cluster method

scientific article published in April 2016

The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method.

scientific article published in January 2017

The explicitly correlated same number of optimized parameters (SNOOP-F12) scheme for calculating intermolecular interaction energies.

scientific article published in May 2016

The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

scientific article published on 01 July 2016

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