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Semi-empirical and DFT Studies of the Periodic Parameters

Semi-empirical and Density Functional Theoretical Studies of the Periodic Parameters

Erschienen am 21.07.2010, 1. Auflage 2010
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Bibliografische Daten
ISBN/EAN: 9783838385518
Sprache: Englisch
Umfang: 204 S.
Format (T/L/B): 1.3 x 22 x 15 cm
Einband: kartoniertes Buch

Beschreibung

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.

Produktsicherheitsverordnung

Hersteller:
Books on Demand GmbH
bod@bod.de
In de Tarpen 42
DE 22848 Norderstedt

Autorenportrait

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.