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Quantum photonic base states: concept and molecular modeling. Managing chemical process descriptions beyond semi-classic schemes
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Physical Chemistry.
2014 (English)In: Journal of Molecular Modeling, ISSN 1610-2940, E-ISSN 0948-5023, Vol. 20, no 2, 2110- p.Article in journal (Refereed) Published
Abstract [en]

Four fundamental aspects bearing on molecular simulations are considered: (1) A different perception of quantum states; mappings from abstract Hilbert space down to laboratory levels; (2) Introduction of photon number Fock space; photonic bases tie together matter-to-photon quantum states: coherent photon-matter states. (3) Chemical tenets framed via photonic-base-states incorporating and defining multi-partite basis sets. (4) Entanglement provides a quantum-physical view connectable to a chemical bond concept. Amplitude modulations of physical quantum states realize (express) chemical change; Feshbach resonance states as a royal path to handle an equivalent to bond breaking/forming by coupling continuum-to-discrete base states. We observe that, for driving chemical processes within photonic framework, microwaves enter not only as heating sources but can act naturally in a quantum physical manner as causes for catalytic activity.

Place, publisher, year, edition, pages
2014. Vol. 20, no 2, 2110- p.
Keyword [en]
Photonic base state, Photon dressed electronuclear state, Atom-photon entanglement, Coherent state, Multipartite base state, Two-statemodel, Schrodinger-cat state, Attosecond process, Quantum modeling
National Category
Natural Sciences
URN: urn:nbn:se:uu:diva-221966DOI: 10.1007/s00894-014-2110-2ISI: 000332179000019OAI: oai:DiVA.org:uu-221966DiVA: diva2:711403
Available from: 2014-04-10 Created: 2014-04-07 Last updated: 2014-04-10Bibliographically approved

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