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Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems (2021)

First Author: Stella M

Attributed to: Multi-Scale Framework for Quantum Mechanical Simulations of Organic Electronics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.2106.01142

Publication URI: https://arxiv.org/abs/2106.01142

Type: Preprint