| Literature DB >> 24526381 |
O Tapia1.
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.Year: 2014 PMID: 24526381 DOI: 10.1007/s00894-014-2110-2
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810