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The general setting for the zero‐flux condition:...
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