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Electronic Structure Principles in Static and Dynamic Situations

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image of Computing Letters

Various electronic structure principles are analyzed in time-independent and time-dependent situations. Periodicity and chemical reactions have been studied as representative static cases. A generalized nonlinear Schrödinger equation has been solved in gaining insights into the reactivity dynamics associated with ion-atom collisions and atom-field interactions. Dynamical variants of various electronic structure principles reveal themselves.

Affiliations: 1: Department of Chemistry, Indian Institute of Technology, Kharagpur 721302, India


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