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Electronic Configuration — ADF 2024.1 documentation
*Exploring the role of nonlocal Coulomb interactions in perovskite *
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A pragmatic protocol for determining charge transfer states of
*Meta-GGA SCAN Functional in the Prediction of Ground State *
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Transition-Based Constrained DFT for the Robust and Reliable
*Density functional theory calculations of large systems: Interplay *
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Constrained-DFT method for accurate energy-level alignment of
*Constrained DFT-based magnetic machine-learning potentials for *
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Transition-Based Constrained DFT for the Robust and Reliable
*Designing semiconductor materials and devices in the post-Moore *
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Implementation of Constrained DFT for Computing Charge Transfer
Constrained DFT — CP2K documentation
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Validity of describing reaction coordinate of intramolecular charge
*Current status of deMon2k for the investigation of the early *
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Constrained DFT-based magnetic machine-learning potentials for
*Constant inner potential DFT for modelling electrochemical systems *
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