Supplementary material

AIP Publishing 2026 Open access

Read full text
Authors: Guillaume Jeanmairet, Maxime Labat, Emmanuel Giner
DOI: 10.60893/figshare.jcp.31093099
Cited by: 0

Abstract

This file provides an original derivation of the QM/MM equilibrium density matrix based on the Wigner transformation, together with a generalization of the DFT formalism in the case where the number of classical particles is allowed to fluctuate.

Fields of Study & Subjects

Advanced Chemical Physics Studies Advanced Physical and Chemical Molecular Interactions Quantum superfluid helium dynamics

Publication details

Journal / source
AIP Publishing
Publication date
6 February 2026