title: Quantum photonic base states: concept and molecular modeling. Managing chemical process descriptions beyond semi-classic schemes.
abstract: 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.
authors: Department of Chemistry-Ångström Laboratory, Physical Chemistry, Uppsala University, Box 259, 75120, Uppsala, Sweden, orlando.tapia@fki.uu.se.
authors: O
authors: O
authors: Tapia