A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation JOURNAL OF CHEMICAL PHYSICS 152 21 (2020),
Puskar Bhattarai, Kamal Wagle, Chandra Shahi, Yoh Yamamoto, Selim Romero, Biswajit Santra, Rajendra Zope, Juan E. Peralta, Koblar A. Jackson, John P. Perdew.
Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 32 (2020),
Yoh Yamamoto, Alan Salcedo, Carlos M. Diaz, Md S. Alam, Tunna Baruah, Rajendra Zope.
Importance of self-interaction-error removal in density functional calculations on water cluster anions PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 7 (2020),
Jorge Vargas, Peter Ufondu, Tunna Baruah, Yoh Yamamoto, Koblar A. Jackson, Rajendra Zope.
Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions JOURNAL OF CHEMICAL PHYSICS 152 17 (2020),
Yoh Yamamoto, Selim Romero, Tunna Baruah, Rajendra Zope.
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods JOURNAL OF CHEMICAL PHYSICS 153 16 (2020),
Sharmin Akter, Yoh Yamamoto, Carlos M. Diaz, Koblar A. Jackson, Rajendra Zope, Tunna Baruah.
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Ph D in Physics, Virginia Tech (2013)
Publications
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation JOURNAL OF CHEMICAL PHYSICS 152 21 (2020),
Puskar Bhattarai, Kamal Wagle, Chandra Shahi, Yoh Yamamoto, Selim Romero, Biswajit Santra, Rajendra Zope, Juan E. Peralta, Koblar A. Jackson, John P. Perdew.
Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 32 (2020),
Yoh Yamamoto, Alan Salcedo, Carlos M. Diaz, Md S. Alam, Tunna Baruah, Rajendra Zope.
Importance of self-interaction-error removal in density functional calculations on water cluster anions PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 7 (2020),
Jorge Vargas, Peter Ufondu, Tunna Baruah, Yoh Yamamoto, Koblar A. Jackson, Rajendra Zope.
Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions JOURNAL OF CHEMICAL PHYSICS 152 17 (2020),
Yoh Yamamoto, Selim Romero, Tunna Baruah, Rajendra Zope.
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods JOURNAL OF CHEMICAL PHYSICS 153 16 (2020),
Sharmin Akter, Yoh Yamamoto, Carlos M. Diaz, Koblar A. Jackson, Rajendra Zope, Tunna Baruah.