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Beyond Born-Oppenheimer : conical intersections and electronic nonadiabatic coupling terms
Preface. Abbreviations. 1. Mathematical Introduction. I.A. The Hilbert Space. I.A.1. The Eigenfunction and the Electronic non-Adiabatic Coupling Term. I.A.2. The Abelian and the non-Abelian Curl
The role of degenerate states in chemistry
Early Perspectives on Geometric Phase (M. S. Child).The Electronic Non-Adiabatic Coupling Term in Molecular Systems: A Theoretical Approach (By Michael Baer).Non-Adiabatic Effects in Chemical
The time‐dependent Schrödinger equation: Application of absorbing boundary conditions
In this work the time‐dependent Schrodinger equation, which is solved by employing absorbing boundary conditions, is considered. To achieve this, a negative imaginary short‐range potential was added
A time‐dependent wave packet approach to atom–diatom reactive collision probabilities: Theory and application to the H+H2 (J=0) system
This paper describes a new approach to the study of atom–diatom reactive collisions in three dimensions employing wave packets and the time‐dependent Schrodinger equation. The method uses a
ON THE LONGUET-HIGGINS PHASE AND ITS RELATION TO THE ELECTRONIC ADIABATIC-DIABATIC TRANSFORMATION ANGLE
In this Note a proof is provided that, within certain well defined approximations, the Longuet-Higgins phase [H. C. Longuet-Higgins, U. Opik, M. H. L. Pryce and R. A. Sack, Proc. R. Soc. London, Ser.
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