E-LIB Suche - Ergebnisse für: Pederson, Mark R.

1

Erratum: "Room temperature colossal superparamagnetic order..:

Getahun, Yohannes W. ; Manciu, Felicia S. ; Pederson, Mark R..
Applied Physics Letters. 124 (2024) 6 - p. , 2024

2

Symmetry breaking and self-interaction correction in the ch..:

Maniar, Rohan ; Withanage, Kushantha P. K. ; Shahi, Chandra...
The Journal of Chemical Physics. 160 (2024) 14 - p. , 2024

Link: https://doi.org/10.1063/..

3

Density Matrix Implementation of the Fermi–Löwdin Orbital S..:

Melo, Juan I. ; Pederson, Mark R. ; Peralta, Juan E.
The Journal of Physical Chemistry A. 127 (2023) 2 - p. 527-534 , 2023

Link: https://doi.org/10.1021/..

4

Downward quantum learning from element 118: Automated gener..:

Pederson, Mark R. ; Johnson, Alexander I. ; Withanage, Kushantha P. K....
The Journal of Chemical Physics. 158 (2023) 8 - p. , 2023

Link: https://doi.org/10.1063/..

5

Comparative Density Functional Theory Study of Magnetic Exc..:

Fitzhugh, Henry C. ; Furness, James W. ; Pederson, Mark R...
Journal of Chemical Theory and Computation. 19 (2023) 17 - p. 5760-5772 , 2023

Link: https://doi.org/10.1021/..

6

Orbital dependent complications for close vs well-separated..:

Hooshmand, Zahra ; Bravo Flores, Jose Gustavo ; Pederson, Mark R.
The Journal of Chemical Physics. 159 (2023) 23 - p. , 2023

Link: https://doi.org/10.1063/..

7

Room temperature colossal superparamagnetic order in aminof..:

Getahun, Yohannes W. ; Manciu, Felicia S. ; Pederson, Mark R..
Applied Physics Letters. 122 (2023) 24 - p. , 2023

Link: https://doi.org/10.1063/..

8

Use of FLOSIC for understanding anion-solvent interactions:

Pederson, Mark R. ; Withanage, Kushantha P. K. ; Hooshmand, Zahra...
The Journal of Chemical Physics. 159 (2023) 15 - p. , 2023

Link: https://doi.org/10.1063/..

9

A Perspective on Sustainable Computational Chemistry Softwa..:

Di Felice, Rosa ; Mayes, Maricris L. ; Richard, Ryan M....
Journal of Chemical Theory and Computation. 19 (2023) 20 - p. 7056-7076 , 2023

Link: https://doi.org/10.1021/..

10

Complex Fermi–Löwdin orbital self-interaction correction:

Withanage, Kushantha P. K. ; Jackson, Koblar A. ; Pederson, Mark R.
The Journal of Chemical Physics. 156 (2022) 23 - p. , 2022

Link: https://doi.org/10.1063/..

11

Electronic and magnetic signatures of low-lying spin-flip e..:

Dema, Karma ; Hooshmand, Zahra ; Pederson, Mark R.
Polyhedron. 206 (2021) - p. 115332 , 2021

Link: https://doi.org/10.1016/..

12

Self-interaction correction in water–ion clusters:

Wagle, Kamal ; Santra, Biswajit ; Bhattarai, Puskar...
The Journal of Chemical Physics. 154 (2021) 9 - p. , 2021

Link: https://doi.org/10.1063/..

13

Initial Fermi orbital descriptors for FLOSIC calculations: ..:

Nguyen, Duyen B. ; Pederson, Mark R. ; Perdew, John P...
Chemical Physics Letters. 780 (2021) - p. 138952 , 2021

Link: https://doi.org/10.1016/..

14

Electromagnetic control of spin ordered Mn3 qubits: a densi..:

Hooshmand, Zahra ; Pederson, Mark R.
Physical Chemistry Chemical Physics. 22 (2020) 47 - p. 27547-27553 , 2020

Link: https://doi.org/10.1039/..

15

A multiferroic molecular magnetic qubit:

Johnson, Alexander I. ; Islam, Fhokrul ; Canali, C. M..
The Journal of Chemical Physics. 151 (2019) 17 - p. , 2019

Link: https://doi.org/10.1063/..