Titlebook: Quantal Density Functional Theory; Viraht Sahni Book 2016Latest edition Springer-Verlag Berlin Heidelberg 2016 Electronic Structure Theory

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,Physical Interpretation of Kohn–Sham Density Functional Theory via Quantal Density Functional Theorn that KS ‘exchange’ is representative of electron correlations due to the Pauli Exclusion Principle and lowest-order Correlation-Kinetic effects. KS ‘correlation’ in turn is representative of Coulomb correlations and second- and higher-order Correlation-Kinetic effects. The Optimized Potential Meth

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Quantal Density Functional Theory of the Density Amplitude,sponding components of the total energy are expressed in integral virial form in terms of the respective fields. The traditional density functional theory definitions of these energies and potentials in terms of energy functionals of the density and their functional derivatives are given. The Levy-P

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,Generalized Hohenberg-Kohn Theorems in?Electrostatic and Magnetostatic Fields,ess electrons) and the added constraint of fixed spin angular momentum . (for electrons with spin) is required. The consequence of these proofs to the existing spin and current density functional theories is remarked upon.

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Viraht Sahniaxation. Rather than mapping points to points we match infinitesimal surface patches while preserving the geometric structures. In this spirit, we consider matchings between objects’ surfaces as diffeomorphisms which are by definition geometrically consistent. Since such diffeomorphisms can be repre

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Viraht Sahniaxation. Rather than mapping points to points we match infinitesimal surface patches while preserving the geometric structures. In this spirit, we consider matchings between objects’ surfaces as diffeomorphisms which are by definition geometrically consistent. Since such diffeomorphisms can be repre