Atoms and Molecules Under Strong External Fields

Sadhukhan, Mainak (2012) Atoms and Molecules Under Strong External Fields. PhD thesis, Indian Institute of Science Education and Research Kolkata.

PDF (PhD Thesis of Mainak Sadhukhan) Mainak-Sadhukhan-PhD-Thesis.pdf - Submitted Version Restricted to Repository staff only Download (5MB)

Abstract

In recent times, there have been studies on the electronic structures of atoms and molecules under strong, static magnetic fields, based mostly on the wave function. Applications of density functional theory in these problems are scarce. Therefore, two important and interconnected facets in this subject were not explored properly before : (1) density functional treatment for molecules under strong, static and dynamic magnetic fields, as well as (2) the electron dynamics of atoms and molecules under strong, dynamic magnetic fields. The present thesis first discusses studies on both these aspects. As a result of this electron dynamics, the onset of quantum chaos occurs. This thesis presents studies which devise a new dynamical signature of quantum chaos through a “phase-space” description. Through this signature, classical and quantum chaos can be discussed in the same spirit. This thesis, therefore, extends the subject to certain new directions, all of which are worth pursuing in future.

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