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Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.Polarizable embedding with a multiconfiguration short-range density functional theory linear response method.Multiconfigurational Effects in Theoretical Resonance Raman Spectra.Second-Order Self-Consistent-Field Density-Matrix Renormalization Group.Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states.Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis.Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptions.Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment.Erratum: "Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment" [J. Chem. Phys. 142, 044111 (2015)].Efficient Relativistic Density-Matrix Renormalization Group Implementation in a Matrix-Product Formulation.Electron correlation within the relativistic no-pair approximation.Density matrix renormalization group with efficient dynamical electron correlation through range separationDensity matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet–triplet gaps in polyacenes and polyacetylenesRelativistic quantum chemical calculations show that the uranium molecule U2 has a quadruple bondOpenMolcas: From Source Code to InsightApproximate Analytical Gradients and Nonadiabatic Couplings for the State-Average Density Matrix Renormalization Group Self-Consistent-Field MethodErratum: "Density matrix renormalization group with efficient dynamical electron correlation through range separation" [J. Chem. Phys. 142, 224108 (2015)]The DIRAC code for relativistic molecular calculationsModern quantum chemistry with [Open]Molcas
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P50
description
researcher ORCID: 0000-0001-9818-2372
@en
wetenschapper
@nl
name
Stefan Knecht
@ast
Stefan Knecht
@en
Stefan Knecht
@es
Stefan Knecht
@nl
Stefan Knecht
@sl
type
label
Stefan Knecht
@ast
Stefan Knecht
@en
Stefan Knecht
@es
Stefan Knecht
@nl
Stefan Knecht
@sl
prefLabel
Stefan Knecht
@ast
Stefan Knecht
@en
Stefan Knecht
@es
Stefan Knecht
@nl
Stefan Knecht
@sl
P1053
H-5282-2012
P106
P21
P31
P3829
P496
0000-0001-9818-2372