Electronic structure principles in static and dynamic situations

Chattaraj, P. K. ; Roy, D. R. ; Giri, S. (2007) Electronic structure principles in static and dynamic situations Computing Letters, 3 (2-4). pp. 223-230. ISSN 1574-0404

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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.

Item Type:Article
Source:Copyright of this article belongs to Brill.
Keywords:Electronegativity; Hardness; Polarizability; Magnetic Susceptibility; Electrophilicity; Quantum Fluid Density Functional Theory; Dynamical Problems
ID Code:71184
Deposited On:24 Nov 2011 09:22
Last Modified:24 Nov 2011 09:22

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