most citedA Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure

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cond-mat.mtrl-sci2025

Variational Calculations of the Excited States of the Charged NV-center in Diamond Using a Hybrid Functional

Lei Sun, Elvar Örn Jónsson, Aleksei Ivanov +2

The excited electronic states involved in the optical cycle preparation of a pure spin state of the negatively charged NV-defect in diamond are calculated using the HSE06 hybrid de…