most citedConserving Approximations in Time-Dependent Density Functional Theory

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cond-mat.other2007

Optimized Gaussian exponents for Goedecker-Teter-Hutter pseudopotentials

Eeuwe S. Zijlstra, Nils Hunteman, Alan Kalitsov +2

We have optimized the exponents of Gaussian s and p basis functions for the elements H, B-F, and Al-Cl using the pseudopotentials of Goedecker, Teter, and Hutter [Phys. Rev. B 54,…