Analytical gradients for projection-based wavefunction-in-DFT embedding (2019)

First Author: Lee S
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