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physics.chem-ph2019★ 7 cited
A Lorenz gauge formulation for TDDFT
Dor Gabay, Ali Yilmaz, Vitaliy Lomakin +2
We describe the inclusion of electrodynamic fields in Time-Dependent Density Functional Theory (TDDFT) by incorporating both the induced scalar and vector potentials within the tim…
physics.chem-ph2017★ 12 cited
Size dependent electronic properties of silicon quantum dots - an analysis with hybrid, screened hybrid and local density functional theory
Dor Gabay, Xueyang Wang, Vitaly Lomakin +3
We use an efficient projection scheme for the Fock operator to analyze the size dependence of silicon quantum dots (QDs) electronic properties. We compare the behavior of hybrid, s…