Quantum photonic base states: concept and molecular modeling. Managing chemical process descriptions beyond semi-classic schemes
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
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.
Photonic base state, Photon dressed electronuclear state, Atom-photon entanglement, Coherent state, Multipartite base state, Two-statemodel, Schrodinger-cat state, Attosecond process, Quantum modeling
IdentifiersURN: urn:nbn:se:uu:diva-221966DOI: 10.1007/s00894-014-2110-2ISI: 000332179000019OAI: oai:DiVA.org:uu-221966DiVA: diva2:711403