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20162026
most citedLarge-scale all-electron density functional theory calculations using an enriched finite element basis

50 citations · 118 across the 14 of their papers we have counts for

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physics.comp-ph2018★ 19 cited

Real-time time-dependent density functional theory using higher order finite element methods

Bikash Kanungo, Vikram Gavini

We present a computationally efficient approach to solve the time-dependent Kohn-Sham equations in real-time using higher-order finite-element spatial discretization, applicable to…