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SaveElectronic structure simulations in the cloud computing environment
Bylaska, Eric J.; Panyala, Ajay; Bauman, Nicholas P.; Peng, Bo; Pathak, Himadri; Mejia-Rodriguez, Daniel; Govind, Niranjan; Williams-Young, David B.; Apra, Edoardo; Bagusetty, Abhishek; Mutlu, Erdal; Jackson, Koblar A.; Baruah, Tunna; Yamamoto, Yoh; Pederson, Mark R.; Withanage, Kushantha P. K.; Pedroza-Montero, Jesus N.; Bilbrey, Jenna A.; Choudhury, Sutanay; Firoz, Jesun; Herman, Kristina M.; Xantheas, Sotiris S.; Rigor, Paul; Vila, Fernando D.; Rehr, John J.; Fung, Mimi; Grofe, Adam; Johnston, Conrad; Baker, Nathan; Kaneko, Ken; Liu, Hongbin; Kowalski, Karol Share Save Share Save Use of FLOSIC for understanding anion-solvent interactionsPederson, Mark R.; Withanage, Kushantha P. K.; Hooshmand, Zahra; Johnson, Alex I.; Baruah, Tunna; Yamamoto, Yoh; Zope, Rajendra R.; Kao, Der-You; Shukla, Priyanka B.; Johnson, J. Karl; Peralta, Juan E.; Jackson, Koblar A. Share Save Share Save Share Save Share Save Share Save Share Save Share Save Share Save 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 approximationBhattarai, Puskar; Wagle, Kamal; Shahi, Chandra; Yamamoto, Yoh; Romero, Selim; Santra, Biswajit; Zope, Rajendra R.; Peralta, Juan E.; Jackson, Koblar A.; Perdew, John P. Share Save Share Save Share Save Share Save Share Save Share Save Stretched or noded orbital densities and self-interaction correction in density functional theoryShahi, Chandra; Bhattarai, Puskar; Wagle, Kamal; Santra, Biswajit; Schwalbe, Sebastian; Hahn, Torsten; Kortus, Jens; Jackson, Koblar A.; Peralta, Juan E.; Trepte, Kai; Lehtola, Susi; Nepal, Niraj K.; Myneni, Hemanadhan; Neupane, Bimal; Adhikari, Santosh; Ruzsinszky, Adrienn; Yamamoto, Yoh; Baruah, Tunna; Zope, Rajendra R.; Perdew, John P. Share Save Analytic atomic gradients in the fermi-lowdin orbital self-interaction correctionTrepte, Kai; Schwalbe, Sebastian; Hahn, Torsten; Kortus, Jens; Kao, Der-You; Yamamoto, Yoh; Baruah, Tunna; Zope, Rajendra R.; Withanage, Kushantha P. K.; Peralta, Juan E.; Jackson, Koblar A. Share Save Fermi-Lowdin orbital self-interaction correction to magnetic exchange couplingsJoshi, Rajendra P.; Trepte, Kai; Withanage, Kushantha P. K.; Sharkas, Kamal; Yamamoto, Yoh; Basurto, Luis; Zope, Rajendra R.; Baruah, Tunna; Jackson, Koblar A.; Peralta, Juan E. Share Save 
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