Journal article
The general setting for the zero‐flux condition: The lagrangian and zero‐flux conditions that give the heisenberg equation of motion
Abstract
Generalizing our recent work on relativistic generalizations of the quantum theory of atoms in molecules, we present the general setting under which the principle of stationary action for a region leads to open quantum subsystems. The approach presented here is general and works for any Hamiltonian, and when a reasonable Lagrangian is selected, it often leads to the integral of the Laplacian of the electron density on the region vanishing as a …
Authors
Anderson JSM; Ayers PW
Journal
Journal of Computational Chemistry, Vol. 39, No. 17, pp. 1051–1058
Publisher
Wiley
Publication Date
June 30, 2018
DOI
10.1002/jcc.25135
ISSN
0192-8651