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...
Main Author: | |
---|---|
Format: | Journal article |
Language: | English |
Published: |
ACS Publications
2022
|