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Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm–Dancoff Approximation of Time-Dependent Density Functional Theory

Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm–Dancoff Approximation of Time-Dependent Density Functional Theory

by Sertcan Gökmen, Beliz, Hutter, Jürg, Hehn, Anna-Sophia
Published in Journal of chemical theory and computation (08.10.2024)

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Journal Article