Polarization propagator theory and the entanglement between MO excitations-Reference-Cited by-同舟云学术

Polarization propagator theory and the entanglement between MO excitations

Published:2018 Issue:38 Volume:20 Page:24832-24842
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Millán Leonardo A.¹²³⁴²^ORCID,Giribet Claudia G.⁵⁶³⁷⁶,Aucar Gustavo A.¹²³⁴²^ORCID

Affiliation:

1. Institute of Modelling and Innovation on Technology, IMIT CONICET-UNNE

2. Corrientes

3. Argentina

4. Physics Department, Natural and Exact Science Faculty, Northeastern University of Argentina

5. Universidad de Buenos Aires, Facultad de Ciencias Exactas y Naturales, Departamento de Física

6. (1428) Buenos Aires

7. CONICET-Universidad de Buenos Aires, Second University, Instituto de Física de Buenos Aires (IFIBA)

Abstract

The likely quantum entanglement among excitations of MOs is described by using the polarization propagator formalism. Its first application to NMR-J couplings gives new understanding about the way external perturbations are transmitted within molecular systems.

Funder

Consejo Nacional de Investigaciones Científicas y Técnicas

Fondo para la Investigación Científica y Tecnológica

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03480J

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