Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations
Guidon, Manuel, Hutter, Jürg, VandeVondele, Joost
Published in Journal of chemical theory and computation (10.08.2010)
Published in Journal of chemical theory and computation (10.08.2010)
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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
Kühne, Thomas D., Iannuzzi, Marcella, Del Ben, Mauro, Rybkin, Vladimir V., Seewald, Patrick, Stein, Frederick, Laino, Teodoro, Khaliullin, Rustam Z., Schütt, Ole, Schiffmann, Florian, Golze, Dorothea, Wilhelm, Jan, Chulkov, Sergey, Bani-Hashemian, Mohammad Hossein, Weber, Valéry, Borštnik, Urban, Taillefumier, Mathieu, Jakobovits, Alice Shoshana, Lazzaro, Alfio, Pabst, Hans, Müller, Tiziano, Schade, Robert, Guidon, Manuel, Andermatt, Samuel, Holmberg, Nico, Schenter, Gregory K., Hehn, Anna, Bussy, Augustin, Belleflamme, Fabian, Tabacchi, Gloria, Glöß, Andreas, Lass, Michael, Bethune, Iain, Mundy, Christopher J., Plessl, Christian, Watkins, Matt, VandeVondele, Joost, Krack, Matthias, Hutter, Jürg
Published in The Journal of chemical physics (21.05.2020)
Published in The Journal of chemical physics (21.05.2020)
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Robust Periodic Hartree−Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets
Guidon, Manuel, Hutter, Jürg, VandeVondele, Joost
Published in Journal of chemical theory and computation (10.11.2009)
Published in Journal of chemical theory and computation (10.11.2009)
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Ab initio molecular dynamics using hybrid density functionals
Guidon, Manuel, Schiffmann, Florian, Hutter, Jürg, VandeVondele, Joost
Published in The Journal of chemical physics (07.06.2008)
Published in The Journal of chemical physics (07.06.2008)
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Journal Article
CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations
Kühne, Thomas D, Iannuzzi, Marcella, Mauro Del Ben, Rybkin, Vladimir V, Seewald, Patrick, Stein, Frederick, Laino, Teodoro, Khaliullin, Rustam Z, Schütt, Ole, Schiffmann, Florian, Golze, Dorothea, Wilhelm, Jan, Chulkov, Sergey, Mohammad Hossein Bani-Hashemian, Weber, Valéry, Urban Borstnik, Taillefumier, Mathieu, Alice Shoshana Jakobovits, Lazzaro, Alfio, Pabst, Hans, Müller, Tiziano, Schade, Robert, Guidon, Manuel, Andermatt, Samuel, Holmberg, Nico, Schenter, Gregory K, Hehn, Anna, Bussy, Augustin, Belleflamme, Fabian, Tabacchi, Gloria, Glöß, Andreas, Lass, Michael, Bethune, Iain, Mundy, Christopher J, Plessl, Christian, Watkins, Matt, VandeVondele, Joost, Krack, Matthias, Hutter, Jürg
Published in arXiv.org (11.03.2020)
Published in arXiv.org (11.03.2020)
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A new approach to high-quality patient-specific hyperthermia treatment
Capstick, Myles, Neufeld, Esra, Gosselin, Marie-Christine, Iliev, Dimce, Renggli, Julien, Selic, Danilo, Rivara, Bruno, Deubler, Steffen, Guidon, Manuel, Kuster, Niels
Published in 2015 9th European Conference on Antennas and Propagation (EuCAP) (01.04.2015)
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Published in 2015 9th European Conference on Antennas and Propagation (EuCAP) (01.04.2015)
Conference Proceeding
Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets
Paier, Joachim, Diaconu, Cristian V, Scuseria, Gustavo E, Guidon, Manuel, VandeVondele, Joost, Hutter, Jürg
Published in arXiv.org (16.09.2009)
Published in arXiv.org (16.09.2009)
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