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

50 citations · 83 across the 12 of their papers we have counts for

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physics.chem-ph2022

Efficient all-electron time-dependent density functional theory calculations using an enriched finite element basis

Bikash Kanungo, Nelson D. Rufus, Vikram Gavini

We present an efficient and systematically convergent approach to all-electron real-time time-dependent density functional theory (TDDFT) calculations using a mixed basis, termed a…