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density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1

From the 1 of 156 linked papers with an AI index.

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19942026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 72.6k across the 151 of their papers we have counts for

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mtrl-th1995

Density-Functional Theory of the nonlinear optical susceptibility: application to cubic semiconductors

Andrea Dal Corso, Francesco Mauri, Angel Rubio

We present a general scheme for the computation of the time dependent (TD) quadratic susceptibility () of an extended insulator obtained by applying the `' theorem t…