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The Journal of Chemical Physics
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April 17, 2015
Communication: practical and rigorous reduction of the many-electron quantum mechanical Coulomb problem to O(N(2/3)) storage
Mark R Pederson
The Journal of Chemical Physics
|
February 16, 2015
Fermi orbital derivatives in self-interaction corrected density functional theory: Applications to closed shell atoms
Mark R Pederson
Physical Chemistry Chemical Physics : PCCP
|
September 30, 2020
Electromagnetic control of spin ordered Mn<sub>3</sub> qubits: a density functional study
Zahra Hooshmand, Mark R Pederson
Journal of Chemical Theory and Computation
|
November 27, 2015
DFT Calculations on Charge-Transfer States of a Carotenoid-Porphyrin-C60 Molecular Triad
Tunna Baruah, Mark R Pederson
The Journal of Chemical Physics
|
November 10, 2006
Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triad
Tunna Baruah, Mark R Pederson
Physical Review Letters
|
August 23, 2002
Fourth-order magnetic anisotropy and tunnel splittings in Mn(12) from spin-orbit-vibron interactions
Mark R Pederson, Noam Bernstein, Jens Kortus
Journal of Computational Chemistry
|
July 4, 2019
Magnetic Signatures of Hydroxyl- and Water-Terminated Neutral and Tetra-Anionic Mn<sub>12</sub> -Acetate
Javaria Batool, Torsten Hahn, Mark R Pederson
The Journal of Chemical Physics
|
August 13, 2005
Density-functional study of two Fe4-based single-molecule magnets
Jordi Ribas-Arino, Tunna Baruah, Mark R Pederson
The Journal of Chemical Physics
|
April 5, 2014
Communication: self-interaction correction with unitary invariance in density functional theory
Mark R Pederson, Adrienn Ruzsinszky, John P Perdew
Journal of the American Chemical Society
|
July 20, 2006
Toward the control of the magnetic anisotropy of Fe(II) cubes: a DFT study
Jordi Ribas-Arino, Tunna Baruah, Mark R Pederson
Page
of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
April 17, 2015
Communication: practical and rigorous reduction of the many-electron quantum mechanical Coulomb problem to O(N(2/3)) storage
Mark R Pederson
The Journal of Chemical Physics
|
February 16, 2015
Fermi orbital derivatives in self-interaction corrected density functional theory: Applications to closed shell atoms
Mark R Pederson
Physical Chemistry Chemical Physics : PCCP
|
September 30, 2020
Electromagnetic control of spin ordered Mn<sub>3</sub> qubits: a density functional study
Zahra Hooshmand, Mark R Pederson
Journal of Chemical Theory and Computation
|
November 27, 2015
DFT Calculations on Charge-Transfer States of a Carotenoid-Porphyrin-C60 Molecular Triad
Tunna Baruah, Mark R Pederson
The Journal of Chemical Physics
|
November 10, 2006
Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triad
Tunna Baruah, Mark R Pederson
Physical Review Letters
|
August 23, 2002
Fourth-order magnetic anisotropy and tunnel splittings in Mn(12) from spin-orbit-vibron interactions
Mark R Pederson, Noam Bernstein, Jens Kortus
Journal of Computational Chemistry
|
July 4, 2019
Magnetic Signatures of Hydroxyl- and Water-Terminated Neutral and Tetra-Anionic Mn<sub>12</sub> -Acetate
Javaria Batool, Torsten Hahn, Mark R Pederson
The Journal of Chemical Physics
|
August 13, 2005
Density-functional study of two Fe4-based single-molecule magnets
Jordi Ribas-Arino, Tunna Baruah, Mark R Pederson
The Journal of Chemical Physics
|
April 5, 2014
Communication: self-interaction correction with unitary invariance in density functional theory
Mark R Pederson, Adrienn Ruzsinszky, John P Perdew
Journal of the American Chemical Society
|
July 20, 2006
Toward the control of the magnetic anisotropy of Fe(II) cubes: a DFT study
Jordi Ribas-Arino, Tunna Baruah, Mark R Pederson
Page
of 4