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The Journal of Chemical Physics|July 11, 2016
Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component HamiltoniansBenjamin Helmich-Paris, Michal Repisky, Lucas VisscherThe Journal of Chemical Physics|March 18, 2014
Calculation of nuclear spin-spin coupling constants using frozen density embeddingAndreas W Götz, Jochen Autschbach, Lucas VisscherThe Journal of Chemical Physics|September 1, 2022
Efficient simulation of resonance Raman spectra with tight-binding approximations to density functional theorySahar Ashtari-Jafari, Zahra Jamshidi, Lucas VisscherJournal of Chemical Theory and Computation|November 20, 2015
Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional TheoryKarin Kiewisch, Christoph R Jacob, Lucas VisscherPlos One|March 14, 2013
Ensemble and single-molecule studies on fluorescence quenching in transition metal bipyridine-complexesDominik Brox, Alexander Kiel, Svenja Johanna Wörner, et al.The Journal of Chemical Physics|December 27, 2005
Orbital-free embedding applied to the calculation of induced dipole moments in CO2...X (X = He, Ne, Ar, Kr, Xe, Hg) van der Waals complexesChristoph R Jacob, Tomasz A Wesolowski, Lucas VisscherThe Journal of Physical Chemistry. A|February 28, 2008
NMR solvent shifts of acetonitrile from frozen density embedding calculationsRosa E Bulo, Christoph R Jacob, Lucas VisscherThe Journal of Chemical Physics|September 1, 2006
On the performance of the intermediate Hamiltonian Fock-space coupled-cluster method on linear triatomic molecules: The electronic spectra of NpO2+, NpO2(2+), and PuO2(2+)Ivan Infante, André Severo Pereira Gomes, Lucas VisscherThe Journal of Chemical Physics|September 21, 2013
Solvatochromic shifts from coupled-cluster theory embedded in density functional theorySebastian Höfener, André Severo Pereira Gomes, Lucas VisscherJournal of Chemical Theory and Computation|January 10, 2025
FragPT2: Multifragment Wave Function Embedding with Perturbative InteractionsEmiel Koridon, Souloke Sen, Lucas Visscher, et al.Pageof 16