Topological Analysis of Functions on Arbitrary Grids: Applications to Quantum Chemistry

por Hutcheon, Michael J., Teale, Andrew M.
Publicado 2022

Semiempirical Methods for Molecular Systems in Strong Magnetic Fields

por Cheng, Chi Y., Wibowo-Teale, Andrew M.
Publicado 2023

Optimizing Molecular Geometries in Strong Magnetic Fields

por Irons, Tom J. P., David, Grégoire, Teale, Andrew M.
Publicado 2021

Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods

por Wibowo, Meilani, Irons, Tom J. P., Teale, Andrew M.
Publicado 2021

Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection

por Vuckovic, Stefan, Irons, Tom J. P., Savin, Andreas, Teale, Andrew M., Gori-Giorgi, Paola
Publicado 2016

Extending conceptual DFT to include external variables: the influence of magnetic fields

por Francotte, Robin, Irons, Tom J. P., Teale, Andrew M., de Proft, Frank, Geerlings, Paul
Publicado 2022

An Embedded Fragment Method for Molecules in Strong Magnetic Fields

por Speake, Benjamin T., Irons, Tom J. P., Wibowo, Meilani, Johnson, Andrew G., David, Grégoire, Teale, Andrew M.
Publicado 2022

Structural and Electronic Studies of Substituted m-Terphenyl Group 12 Complexes

por Valentine, Andrew J., Taylor, Laurence J., Geer, Ana M., Huke, Cameron D., Wood, Katherine E., Tovey, Will, Lewis, William, Argent, Stephen P., Teale, Andrew M., McMaster, Jonathan, Kays, Deborah L.
Publicado 2022

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

por Teale, Andrew M., Helgaker, Trygve, Savin, Andreas, Adamo, Carlo, Aradi, Bálint, Arbuznikov, Alexei V., Ayers, Paul W., Baerends, Evert Jan, Barone, Vincenzo, Calaminici, Patrizia, Cancès, Eric, Carter, Emily A., Chattaraj, Pratim Kumar, Chermette, Henry, Ciofini, Ilaria, Crawford, T. Daniel, De Proft, Frank, Dobson, John F., Draxl, Claudia, Frauenheim, Thomas, Fromager, Emmanuel, Fuentealba, Patricio, Gagliardi, Laura, Galli, Giulia, Gao, Jiali, Geerlings, Paul, Gidopoulos, Nikitas, Gill, Peter M. W., Gori-Giorgi, Paola, Görling, Andreas, Gould, Tim, Grimme, Stefan, Gritsenko, Oleg, Jensen, Hans Jørgen Aagaard, Johnson, Erin R., Jones, Robert O., Kaupp, Martin, Köster, Andreas M., Kronik, Leeor, Krylov, Anna I., Kvaal, Simen, Laestadius, Andre, Levy, Mel, Lewin, Mathieu, Liu, Shubin, Loos, Pierre-François, Maitra, Neepa T., Neese, Frank, Perdew, John P., Pernal, Katarzyna, Pernot, Pascal, Piecuch, Piotr, Rebolini, Elisa, Reining, Lucia, Romaniello, Pina, Ruzsinszky, Adrienn, Salahub, Dennis R., Scheffler, Matthias, Schwerdtfeger, Peter, Staroverov, Viktor N., Sun, Jianwei, Tellgren, Erik, Tozer, David J., Trickey, Samuel B., Ullrich, Carsten A., Vela, Alberto, Vignale, Giovanni, Wesolowski, Tomasz A., Xu, Xin, Yang, Weitao
Publicado 2022

The Dalton quantum chemistry program system

por Aidas, Kestutis, Angeli, Celestino, Bak, Keld L, Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pål, Dalskov, Erik K, Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J, Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Høyvik, Ida-Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa, Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B, Melo, Juan I, Mikkelsen, Kurt V, Myhre, Rolf H, Neiss, Christian, Nielsen, Christian B, Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H, Osted, Anders, Packer, Martin J, Pawlowski, Filip, Pedersen, Thomas B, Provasi, Patricio F, Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A, Ruud, Kenneth, Rybkin, Vladimir V, Sałek, Pawel, Samson, Claire C M, de Merás, Alfredo Sánchez, Saue, Trond, Sauer, Stephan P A, Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H, Sylvester-Hvid, Kristian O, Taylor, Peter R, Teale, Andrew M, Tellgren, Erik I, Tew, David P, Thorvaldsen, Andreas J, Thøgersen, Lea, Vahtras, Olav, Watson, Mark A, Wilson, David J D, Ziolkowski, Marcin, Ågren, Hans
Publicado 2014