Efficiently computing excitations of complex systems: linear-scaling time-dependent embedded mean-field theory in implicit solvent

Quantum embedding schemes have the potential to significantly reduce the computational cost of first principles calculations, whilst maintaining accuracy, particularly for calculations of electronic excitations in complex systems. In this work, I combine time-dependent embedded mean field theory (TD...

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Bibliographic Details
Main Author: Prentice, JCA
Format: Journal article
Language:English
Published: ACS Publications 2022