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The Journal of Physical Chemistry. A|August 9, 2014
Mechanochemistry: the effect of dynamicsHans S Smalø, Vladimir V Rybkin, Wim Klopper, et al.The Journal of Chemical Physics|October 19, 2005
The trust-region self-consistent field method in Kohn-Sham density-functional theoryLea Thøgersen, Jeppe Olsen, Andreas Köhn, et al.The Journal of Chemical Physics|July 21, 2004
The trust-region self-consistent field method: towards a black-box optimization in Hartree-Fock and Kohn-Sham theoriesLea Thøgersen, Jeppe Olsen, Danny Yeager, et al.Physical Chemistry Chemical Physics : PCCP|September 4, 2008
A ground-state-directed optimization scheme for the Kohn-Sham energyStinne Høst, Branislav Jansík, Jeppe Olsen, et al.The Journal of Chemical Physics|August 24, 2015
Coupled-cluster theory for atoms and molecules in strong magnetic fieldsStella Stopkowicz, Jürgen Gauss, Kai K Lange, et al.Physical Chemistry Chemical Physics : PCCP|January 27, 2015
Geometry of the magic number H(+)(H2O)21 water cluster by proxyMauritz Johan Ryding, Róbert Izsák, Patrick Merlot, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2009
A stepwise atomic, valence-molecular, and full-molecular optimisation of the Hartree-Fock/Kohn-Sham energyBranislav Jansík, Stinne Høst, Mikael P Johansson, et al.The Journal of Chemical Physics|July 16, 2021
Ab Initio molecular dynamics with screened Lorentz forces. II. Efficient propagators and rovibrational spectra in strong magnetic fieldsLaurens D M Peters, Tanner Culpitt, Laurenz Monzel, et al.Journal of Chemical Theory and Computation|May 8, 2019
Kohn-Sham Theory with Paramagnetic Currents: Compatibility and Functional DifferentiabilityAndre Laestadius, Erik I Tellgren, Markus Penz, et al.The Journal of Chemical Physics|November 3, 2018
Generalized Kohn-Sham iteration on Banach spacesAndre Laestadius, Markus Penz, Erik I Tellgren, et al.Pageof 18