Semi-empirical and DFT Studies of the Periodic Parameters - Islam, Nazmul
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The present work contains the scope of theoretical field and the aim of the work, the history of periodic table and periodicity of elements, the concept of different Quantum Mechanical Methods, Semi-Empirical Methods, the Born-Oppenheimer Approximation, Slater Determinant, Wave Functions, Slater's Rules, the Average Value Theorem, Variational Principle, Hartree Self-Consistent Field Method, Post-Hartree Fock methods, Configuration interaction, Coupled cluster and the concept of density functional theory, the Method of Computation and the comparative study of the major methods for computing the periodic parameters.…mehr

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Produktbeschreibung
The present work contains the scope of theoretical field and the aim of the work, the history of periodic table and periodicity of elements, the concept of different Quantum Mechanical Methods, Semi-Empirical Methods, the Born-Oppenheimer Approximation, Slater Determinant, Wave Functions, Slater's Rules, the Average Value Theorem, Variational Principle, Hartree Self-Consistent Field Method, Post-Hartree Fock methods, Configuration interaction, Coupled cluster and the concept of density functional theory, the Method of Computation and the comparative study of the major methods for computing the periodic parameters.
Autorenporträt
Nazmul Islam submitted his PhD thesis in 2010 and already made good number of publications in various prestigious international peer reviewed journals.He is currently a Lecturer at the Techno Global-Balurgaht. Acted as a Coordinator, visiting faculty, and counselor of various PG and UG Colleges.