Semiempirical and DFT Studies of the Periodic Parameters: Semiempirical and Density Functional Theoretical Studies of the Peri,Used

Semiempirical and DFT Studies of the Periodic Parameters: Semiempirical and Density Functional Theoretical Studies of the Peri,Used

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SKU: DADAX3838385519
Brand: LAP Lambert Academic Publishing
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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, SemiEmpirical Methods, the BornOppenheimer Approximation, Slater Determinant, Wave Functions, Slater's Rules, the Average Value Theorem, Variational Principle, Hartree SelfConsistent Field Method, PostHartree?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.

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