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Quantum Chemical Topology as a Theory of Open Quantum Systems

02 November 2018, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We show how Quantum Chemical Topology can be interpreted within the Theory of Open Quantum Systems. Chemical bonding can then be understood as a consequence of entanglement. The computational implementation is based on the PROMOLDEN code, which is available upon request from the same authors.

Keywords

Chemical Bonding
Quantum Chemical Topology
Open Quantum Systems

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Now Published

Quantum Chemical Topology as a Theory of Open Quantum Systems [opens in a new tab]
A. Martín Pendás, E. Francisco journal article
Journal of Chemical Theory and Computation , Volume 15, Issue 2
Online publication date: Dec 21, 2018

Version History

Nov 02, 2018 Version 1

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.7278935.v1
D O I: 10.26434/chemrxiv.7278935.v1 [opens in a new tab]

Funding

MINECO/FEDER, grant CTQ2015-65790-P.

Author’s competing interest statement

No conflict of interest

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