Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Boman, Linus"'
Publikováno v:
Journal of Chemical Physics; 5/28/2010, Vol. 132 Issue 20, p204105, 7p, 1 Color Photograph, 7 Charts, 4 Graphs
Autor:
Boman, Linus1 (AUTHOR), Koch, Henrik1 (AUTHOR) henrik.koch@chem.ntnu.no
Publikováno v:
International Journal of Quantum Chemistry. 2009, Vol. 109 Issue 4, p708-716. 9p.
Publikováno v:
Journal of Chemical Physics; 10/7/2008, Vol. 129 Issue 13, p134107, 14p, 1 Diagram, 8 Charts, 3 Graphs
Autor:
Aidas, Kestudis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Chistiansen, Ove, Coriani, Sonia, Dahle, Pål, Dalskov, Eric K., Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Kalkier, Asger, Hättig, Chistof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Melo, Juan Ignacio, Provasi, Patricio Federico
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational selfconsistent-field, Møller–Plesset, configuration-interaction, and coupled-cluster level
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::218e48db1af620bf90ea6fe8a5f06cac
Wiley Online Library
Wiley Online Library
Autor:
Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pal, Dalskov, Erik K., Ekstrom, Ulf, Enevoldsen, Thomas Thuesen, Eriksen, Janus J., Ettenhuber, Patrick, Fernandez, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Knecht, Stefan
Publikováno v:
Wiley Interdisciplinary Reviews. Computational Molecular Science, 4 (3)
Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self-consistent-field, Møller–Plesset, configuration-interaction, and coupled-cluster leve
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd290ae47bdb6fb00cefdf5bd40c87df
https://hdl.handle.net/20.500.11850/72634
https://hdl.handle.net/20.500.11850/72634
Autor:
Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dalskov, Erik K., Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenaes, Eirik, Iozzi, Maria Francesca, Jonsson, Dan, Kauczor, Joanna, Kirpekar, Sheela, Kjaergaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnaes, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf H., Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, 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., Sa?ek, Pawel, Samson, Claire C. M., 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., Vahtras, Olav, Watson, Mark A., Wilson, David J. D., Ziolkowski, Marcin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::2bc1ed09c8fafd15af4949dc6cb2a141
https://nottingham-repository.worktribe.com/file/717429/1/Aidas_et_al-2014-Wiley_Interdisciplinary_Reviews-_Computational_Molecular_Science.pdf
https://nottingham-repository.worktribe.com/file/717429/1/Aidas_et_al-2014-Wiley_Interdisciplinary_Reviews-_Computational_Molecular_Science.pdf
Akademický článek
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Akademický článek
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Publikováno v:
In Chemical Physics Letters 2004 393(4):319-326
Decomposing the Hartree-Fock one-electron density matrix and a virtual pseudodensity matrix, we obtain an orthogonal set of normalized molecular orbitals with local character to be used in post-Hartree-Fock calculations. The applicability of the proc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d8d44bb23d2f64234493aebb7e40b6a
https://hdl.handle.net/11384/69804
https://hdl.handle.net/11384/69804