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Mark R Pederson

Showing results (11-20 of 39) with videos related to

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Journal of Chemical Theory and Computation|October 31, 2017
Symmetry Breaking within Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional TheoryTorsten Hahn, Sebastian Schwalbe, Jens Kortus, et al.
The Journal of Chemical Physics|December 20, 2023
Orbital dependent complications for close vs well-separated electrons in diradicalsZahra Hooshmand, Jose Gustavo Bravo Flores, Mark R Pederson
The Journal of Physical Chemistry. A|January 4, 2023
Density Matrix Implementation of the Fermi-Löwdin Orbital Self-Interaction Correction MethodJuan I Melo, Mark R Pederson, Juan E Peralta
The Journal of Chemical Physics|December 17, 2015
Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximationT Hahn, S Liebing, J Kortus, et al.
The Journal of Chemical Physics|May 2, 2016
Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene moleculesMark R Pederson, Tunna Baruah, Der-You Kao, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Density-Functional-Based Determination of Vibrational Polarizabilities in Molecules within the Double-Harmonic Approximation:  Derivation and ApplicationMark R Pederson, Tunna Baruah, Philip B Allen, et al.
The Journal of Chemical Physics|June 22, 2022
Complex Fermi-Löwdin orbital self-interaction correctionKushantha P K Withanage, Koblar A Jackson, Mark R Pederson
The Journal of Chemical Physics|January 7, 2005
Electronic structure, vibrational stability, and predicted infrared-Raman spectra of the As20, As @ Ni12, and As @ Ni12 @ As20 clustersTunna Baruah, Rajendra R Zope, Steven L Richardson, et al.
The Journal of Chemical Physics|November 10, 2019
A multiferroic molecular magnetic qubitAlexander I Johnson, Fhokrul Islam, C M Canali, et al.
The Journal of Chemical Physics|June 10, 2019
Theoretical studies of the vibrational properties of octahedrane (C<sub>12</sub>H<sub>12</sub>): A polyhedral caged hydrocarbon moleculeDaniel Finkenstadt, Michael J Mehl, Mark R Pederson, et al.
Pageof 4

Showing results (11-20 of 39) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|October 31, 2017
Symmetry Breaking within Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional TheoryTorsten Hahn, Sebastian Schwalbe, Jens Kortus, et al.
The Journal of Chemical Physics|December 20, 2023
Orbital dependent complications for close vs well-separated electrons in diradicalsZahra Hooshmand, Jose Gustavo Bravo Flores, Mark R Pederson
The Journal of Physical Chemistry. A|January 4, 2023
Density Matrix Implementation of the Fermi-Löwdin Orbital Self-Interaction Correction MethodJuan I Melo, Mark R Pederson, Juan E Peralta
The Journal of Chemical Physics|December 17, 2015
Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximationT Hahn, S Liebing, J Kortus, et al.
The Journal of Chemical Physics|May 2, 2016
Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene moleculesMark R Pederson, Tunna Baruah, Der-You Kao, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Density-Functional-Based Determination of Vibrational Polarizabilities in Molecules within the Double-Harmonic Approximation:  Derivation and ApplicationMark R Pederson, Tunna Baruah, Philip B Allen, et al.
The Journal of Chemical Physics|June 22, 2022
Complex Fermi-Löwdin orbital self-interaction correctionKushantha P K Withanage, Koblar A Jackson, Mark R Pederson
The Journal of Chemical Physics|January 7, 2005
Electronic structure, vibrational stability, and predicted infrared-Raman spectra of the As20, As @ Ni12, and As @ Ni12 @ As20 clustersTunna Baruah, Rajendra R Zope, Steven L Richardson, et al.
The Journal of Chemical Physics|November 10, 2019
A multiferroic molecular magnetic qubitAlexander I Johnson, Fhokrul Islam, C M Canali, et al.
The Journal of Chemical Physics|June 10, 2019
Theoretical studies of the vibrational properties of octahedrane (C<sub>12</sub>H<sub>12</sub>): A polyhedral caged hydrocarbon moleculeDaniel Finkenstadt, Michael J Mehl, Mark R Pederson, et al.
Pageof 4