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The Journal of Chemical Physics|September 11, 2012
Real-space, real-time calculation of dynamic hyperpolarizabilitiesVladimir A Goncharov, Kalman VargaBiophysical Journal|October 4, 2005
Mass spectroscopic analysis of Sup35NM prion polymerizationVladimir A GoncharovThe Journal of Chemical Physics|September 7, 2013
Nonlinear optical response in solids from time-dependent density-functional theory simulationsVladimir A GoncharovThe Journal of Chemical Physics|August 15, 2025
Time-dependent density-functional study of intermolecular Coulombic decay for 2a1 ionized water dimerKedong Wang, Cody L Covington, Kalman VargaThe Journal of Chemical Physics|June 3, 2016
Accuracy and computational efficiency of real-time subspace propagation schemes for the time-dependent density functional theoryArthur Russakoff, Yonghui Li, Shenglai He, et al.Physical Review Letters|May 21, 2005
Kinetic pathway for the formation of fe nanowires on stepped Cu111 surfacesYina Mo, Kalman Varga, Efthimios Kaxiras, et al.Journal of Chemical Theory and Computation|February 15, 2026
Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical CavitiesYetmgeta Aklilu, Matthew Shepherd, Cody L Covington, et al.Nanotechnology|June 7, 2011
Time-dependent density functional study of field emission from nanotubes composed of C, BN, SiC, Si, and GaNJoseph A Driscoll, Sergiy Bubin, William R French, et al.Scientific Reports|November 17, 2015
Structural, electronic and vibrational properties of few-layer 2H- and 1T-TaSe2Jia-An Yan, Mack A Dela Cruz, Brandon Cook, et al.The Journal of Chemical Physics|December 1, 2025
Time-dependent density functional theory investigation of the formation of H3+ from alkanesC Jiang, Samuel S Taylor, Kedong Wang, et al.Pageof 2