20 citations · 31 across the 3 of their papers we have counts for
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physics.comp-ph2018★ 11 cited
Constrained Density Functional Theory Calculation with Iterative Optimization
D. Kidd, A. S. Umar, K. Varga
An iterative optimization approach that simultaneously minimizes the energy and optimizes the Lagrange multipliers enforcing desired constraints is presented. The method is tested…
physics.comp-ph2017★ 20 cited
Exponential Integrators in Time-Dependent Density Functional Calculations
Daniel Kidd, Cody Covington, Kalman Varga
The integrating factor and exponential time differencing methods are implemented and tested for solving the time-dependent Kohn--Sham equations. Popular time propagation methods us…