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The Journal of Chemical Physics|November 10, 2016
Real-space pseudopotential method for computing the vibrational Stark effectBenjamin F Garrett, Ido Azuri, Leeor Kronik, et al.Journal of Chemical Theory and Computation|June 3, 2021
Space-Filling Curves for Real-Space Electronic Structure CalculationsKai-Hsin Liou, Ariel Biller, Leeor Kronik, et al.The Journal of Chemical Physics|October 16, 2007
Ab initio calculation of temperature effects in the optical response of open-shell sodium clustersMarie Lopez del Puerto, Murilo L Tiago, James R ChelikowskyPhysical Review Letters|October 10, 2006
Excitonic effects and optical properties of passivated CdSe clustersMarie Lopez del Puerto, Murilo L Tiago, James R ChelikowskyPhysical Chemistry Chemical Physics : PCCP|June 25, 2015
High order forces and nonlocal operators in a Kohn-Sham HamiltonianN Scott Bobbitt, Grady Schofield, Charles Lena, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|February 7, 2007
Parallel self-consistent-field calculations via Chebyshev-filtered subspace accelerationYunkai Zhou, Yousef Saad, Murilo L Tiago, et al.The Journal of Chemical Physics|February 2, 2015
A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystalsMinjung Kim, Noa Marom, N Scott Bobbitt, et al.Physical Review Letters|September 26, 2012
Theoretical design of a shallow donor in diamond by lithium-nitrogen codopingJonathan E Moussa, Noa Marom, Na Sai, et al.Nature Materials|March 6, 2003
Highest electron affinity as a predictor of cluster anion structuresLeeor Kronik, Roland Fromherz, Eunjung Ko, et al.The Journal of Chemical Physics|January 8, 2026
Decoding atomic landscapes: Integrating electronic structure theory and high-resolution atomic force microscopyDingxin Fan, Yukun Zhang, Zhao Tang, et al.Pageof 5,988