APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session J58: DFT and Beyond VI
Focus
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Sponsoring Units: DCP DCOMP DPOLY DCMP
Chair: Sahar Sharifzadeh, Boston Univ
Room: Mile High Ballroom 3B
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J58.00001: Steady-State Density Functional Theory for quantum transport and spectral functions
Invited Speaker:
Gianluca Stefanucci
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J58.00002: Linearized GW density matrix for molecules
Fabien Bruneval
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J58.00003: Dynamical excitations of charge states in diamond color centers
Tatiane Pereira Dos Santos, Andre Schleife
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J58.00004: Recent progress in the first-principles quantum Monte Carlo: New algorithms in the all-electron calculations
Kosuke Nakano, Ryo Maezono, Sandro Sorella
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J58.00005: Thermo-Optical Properties of Organic Verdazyl Biradicals via UV-VIS Spectroscopy
Ozge Gunaydin-Sen, Caitlyn Clark, Emily Ingram, David Brook
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J58.00006: Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms?
Biswajit Santra, John P. Perdew
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J58.00007: Constrained optimization of Fermi-orbital descriptors
Kai Trepte, Juan Peralta, Koblar Alan Jackson
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J58.00008: New Algorithms for the Fermi-Löwdin Orbital Self-Interaction Correction Calculations.
Kamal Sharkas, Juan E Peralta, Koblar Jackson
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J58.00009: Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters
Kamal Wagle, Biswajit Santra, Kamal Sharkas, Sharmin Akter, Rajendra R Zope, Tunna Baruah, Koblar Jackson, Juan E Peralta, John P. Perdew
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J58.00010: Study of water cluster anions using the self-interaction corrected density functional approximations
Jorge Vargas, Peter Ufondu, Tunna Baruah, Koblar Alan Jackson, Rajendra Zope
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J58.00011: Fermi-Lowdin orbital self-interaction corrections applied to water clusters: Polarizabilities, dipole moments, and ionization energies
Sharmin Akter, Yoh Yamamoto, Rajendra Zope, Tunna Baruah
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