The special theory of relativity as applied to the Born–Oppenheimer–Huang approach. (3rd July 2017)

• Record Type: Journal Article
• Authors: Baer, Michael
• Is Part Of: Molecular physics. Volume 115:Number 13(2017)
• Page Start: 1534
• Page End: 1543
• Publication Date: 2017-07-03
• Subjects: Non-adiabatic coupling term (NACT), Born–Hwang equation -- wave equation -- molecular field -- dirac special relativity; Molecules -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Molécules -- Périodiques; Chimie physique et théorique -- Périodiques; 539.6.05
• DOI: 10.1080/00268976.2017.1303205
• Languages: English
• ISSNs: 0026-8976

Abstract

ABSTRACT: In two recent publications (Int. J. Quant. Chem. 114, 1645 (2014) and Mole. Phys. 114, 227 (2016)) it was shown that the Born–Hwang (BH) treatment of a molecular system perturbed by an external field yields a set of decoupled vectorial wave equations, just like in electro-magnetism. This finding led us to declare on the existence of a new type of Fields, which were termed Molecular Fields. The fact that such fields exist implies that at the vicinity of conical intersections exist a mechanism that transforms a passing-by electric beam into a field which differs from the original electric field. This situation is reminiscent of what is encountered in astronomy where Black Holes formed by massive stars may affect the nature of a near-by beam of light. Thus, if the non-adiabatic-coupling-terms (NACT) with their singular points may affect the nature of such a beam (see the above two publications), then it would be interesting to know to what extend NACTs (and consequently also the BH equation) will be affected by the special theory of relativity as introduced by Dirac. Indeed, while applying the Dirac approach we derived the relativistic affected NACTs as well as the corresponding BH equation. Abstract :