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Licensed Unlicensed Requires Authentication Published by Oldenbourg Wissenschaftsverlag November 6, 2015

Construction of Constrained Dipole Oscillator Strength Distributions

Ajit J. Thakkar

Abstract

A brief review is given of how a constrained dipole oscillator strength distribution (DOSD) is constructed from experimental and possibly theoretical photoabsorption cross-sections with constraints provided by molar refractivity data and the Kuhn–Reiche–Thomas sum rule. Some recent refinements including the imposition of the correct high-energy behavior on the DOSD for homoatomic molecules are discussed and extended to the general molecular case. A sample application to pyridine is given.

Acknowledgement

It is a pleasure to have collaborated with Michael Springborg on scientific projects [120], on organizing a special issue of Computational and Theoretical Chemistry devoted to clusters [121], and on the organization of a symposium on clusters.

Received: 2015-10-2
Accepted: 2015-10-17
Published Online: 2015-11-6
Published in Print: 2016-5-28

©2015 Walter de Gruyter Berlin/Boston