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By Michael Baer

Edited through Nobel Prize-winner Ilya Prigogine and popular authority Stuart A. Rice, the Advances in Chemical Physics sequence presents a discussion board for serious, authoritative reviews in each region of the self-discipline. In a layout that encourages the expression of person issues of view, specialists within the box current finished analyses of matters of interest.This stand-alone, designated themes quantity, edited by way of Gert D. Billing of the collage of Copenhagen and Michael Baer of the Soreq Nuclear learn middle in Yavne, Israel, experiences fresh advances at the position of degenerate states in chemistry.Volume 124 collects leading edge papers on "Complex States of straightforward Molecular Systems," "Electron Nuclear Dynamics," "Conical Intersections and the Spin-Orbit Interaction," and lots of extra comparable themes. Advances in Chemical Physics continues to be the most effective venue for displays of latest findings in its box.

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The non-adiabatic coupling terms, together with the adiabatic potential energy surfaces (which are also an outcome of this treatment) form the origin for the driving forces that govern the the electronic non-adiabatic coupling term 41 motion of the atoms in the molecular system. Still they differ from the potential energy surfaces because they are, as we shall show, derivative coupling and as such they are vectors, in contrast to adiabatic potential energy surfaces, which are scalars. The ordinary way to get acquainted with objects like the non-adiabatic coupling terms is to derive them from first principles, via ab initio calculations [4–6], and study their spatial structure—somewhat reminiscent of the way potential energy surfaces are studied.

INTRODUCTION Electronic non-adiabatic effects are an outcome of the Born–Oppenheimer– Huang treatment and as such are a result of the distinction between the fast moving electrons and the slow moving nuclei [1,2]. The non-adiabatic coupling terms, together with the adiabatic potential energy surfaces (which are also an outcome of this treatment) form the origin for the driving forces that govern the the electronic non-adiabatic coupling term 41 motion of the atoms in the molecular system. Still they differ from the potential energy surfaces because they are, as we shall show, derivative coupling and as such they are vectors, in contrast to adiabatic potential energy surfaces, which are scalars.

Phys. 115, 3673 (2001). 27. G. , Academic Press, San Diego, 1985. 28. M. Stone and W. Goff, Nucl. Phys. B295 [FS21], 243 (1988). 29. V. I. Arnold, Mathematical methods of classical dynamics, Chap. 7, Springer, New York, 1978. 30. J. W. Zwanziger and E. R. Grant, J. Chem. Phys. 87, 2954 (1987). 31. H. Koizumi and I. B. Bersuker, Phys. Rev. Lett. 83, 3009 (1999). 32. E. T. Whittaker and G. N. Watson, Modern Analysis, Cambridge University Press, 1962. 33. B. Kendrick, Phys. Rev. Lett. 79, 2431 (1997).

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