Introducing time-dependent molecular fields: a new derivation of the wave equations
The Fritz Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem,
a e-mail: firstname.lastname@example.org
Published online: 8 February 2018
This article is part of a series of articles trying to establish the concept molecular field. The theory that induced us to introduce this novel concept is based on the Born-Huang expansion as applied to the Schroedinger equation that describes the interaction of a molecular system with an external electric field. Assuming the molecular system is made up of two coupled adiabatic states the theory leads from a single spatial curl equation, two space-time curl equations and one single space-time divergent equation to a pair of decoupled wave equations usually encountered within the theory of fields. In the present study, just like in the previous study [see Baer et al., Mol. Phys. 114, 227 (2016)] the wave equations are derived for an electric field having two features: (a) its intensity is high enough; (b) its duration is short enough. Although not all the findings are new the derivation, in the present case, is new, straightforward, fluent and much friendlier as compared to the previous one and therefore should be presented again.
For this situation the study reveals that the just described interaction creates two fields that coexist within a molecule: one is a novel vectorial field formed via the interaction of the electric field with the Born-Huang non-adiabatic coupling terms (NACTs) and the other is an ordinary, scalar, electric field essentially identical to the original electric field. Section 4 devoted to the visualization of the outcomes via two intersecting Jahn-Teller cones which contain NACTs that become singular at the intersection point of these cones.
Finally, the fact that eventually we are facing a kind of a cosmic situation may bring us to speculate that singular NACTs are a result of cosmic phenomena. Thus, if indeed this singularity is somehow connected to reality then, like other singularities in physics, it is formed at (or immediately after) the Big Bang and consequently, guarantees the formation of molecules.
Key words: Molecular Physics and Chemical Physics
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2018