Electronic Structure Principles in Static and Dynamic Situations

Authors: Chattaraj, P.K.; Roy, D.R.; Giri, S.

Source: Computing Letters, Volume 3, Numbers 2-4, 2007 , pp. 223-230(8)

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Abstract:

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.

Keywords: ELECTRONEGATIVITY; HARDNESS; POLARIZABILITY; MAGNETIC SUSCEPTIBILITY; ELECTROPHILICITY; QUANTUM FLUID DENSITY FUNCTIONAL THEORY; DYNAMICAL PROBLEMS

Document Type: Research article

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

Publication date: 2007-11-01