Thesis

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Quantum-Chemical Studies of Selected Problems Using Evolutionary Algorithms
(University of Calcutta, 2019) Naskar, Pulak
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.