Quantum-Chemical Studies of Selected Problems Using Evolutionary Algorithms
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Date
2019
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University of Calcutta
Abstract
Determination of size selected microclusters is one of the most important elds
in contemporary chemical physics. Experimentalists have found out new and interesting
properties of the clusters while theoreticians have parallely provided the
proper explanation of the properties. Theoretician have attempted this type of
problems in various ways. One of the well established methods is a conjugated
recipe of evolutionary algorithms and quantum-chemical methods. In this review
we intend to review the various types of these evolutionary algorithms. Having
control over any quantum chemical phenomena is also an very important eld of
research. In this chapter we have reviewed the applications of evolutionary algorithms
to control the chemical events. In this chapter we have also reviewed the
quantum-chemical methods, which have been used to execute the works in this
thesis.