Analytical gradients for projection-based wavefunction-in-DFT embedding (2019)
Attributed to:
Embedded mean-field theory: chemical simulation in complex environments
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1063/1.5109882
Publication URI: http://dx.doi.org/10.1063/1.5109882
Type: Journal Article/Review
Parent Publication: The Journal of Chemical Physics
Issue: 6