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Physical Review Letters|December 21, 2011
Reliability of hybrid functionals in predicting band gapsManish Jain, James R Chelikowsky, Steven G LouiePhysical Review Letters|December 21, 2011
Quasiparticle excitations and charge transition levels of oxygen vacancies in hafniaManish Jain, James R Chelikowsky, Steven G LouiePhysical Review Letters|August 7, 2012
First-principles calculations of quasiparticle excitations of open-shell condensed matter systemsJohannes Lischner, Jack Deslippe, Manish Jain, et al.Journal of Chemical Theory and Computation|May 27, 2026
Real-Space Stochastic GW Calculations Benchmark on GW20Ishita Shitut, Weiwei Gao, James R Chelikowsky, et al.Physical Review Letters|November 24, 2011
Simple approximate physical orbitals for GW quasiparticle calculationsGeorgy Samsonidze, Manish Jain, Jack Deslippe, et al.Nano Letters|November 2, 2020
Prediction of Intrinsic Ferroelectricity and Large Piezoelectricity in Monolayer Arsenic ChalcogenidesWeiwei Gao, James R ChelikowskyJournal of Chemical Theory and Computation|February 20, 2020
Accelerating Time-Dependent Density Functional Theory and GW Calculations for Molecules and Nanoclusters with Symmetry Adapted Interpolative Separable Density FittingWeiwei Gao, James R ChelikowskyPhysical Review Letters|August 23, 2002
Hybridization and bond-orbital components in site-specific X-ray photoelectron spectra of rutile TiO2J C Woicik, E J Nelson, Leeor Kronik, et al.Journal of Chemical Theory and Computation|August 20, 2019
Real-Space Based Benchmark of G0W0 Calculations on GW100: Effects of Semicore Orbitals and Orbital ReorderingWeiwei Gao, James R ChelikowskyPhysical Review Letters|December 20, 2003
Charge state dependent Jahn-Teller distortions of the e-center defect in crystalline SiSerdar Oğüt, James R ChelikowskyPageof 56