Titlebook: Explicitly Correlated Wave Functions in Chemistry and Physics; Theory and Applicati Jacek Rychlewski Book 2003 Springer Science+Business Me

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1567-7354 properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion. .978-90-481-6448-6978-94-017-0313-0Series ISSN 1567-7354 Series E-ISSN 2215-0129

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Book 2003lativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion. .

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Explicitly Correlated Functions in Variational Calculationsectronic distance, ... Such functions with the correlation term .. have been proposed for the first time in 1929 by Hylleraas to solve the Schr?dinger equation for helium atom [1]. The Hylleraas wave function can be described as composed of three factors: exponential (Slater type), power expansion o

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Adiabatic Calculations Using Explicitly Correlated Wave Functions using EC wave functions. Energies calculated from the electronic Schr?dinger equation can then be used as the potential for solving the rotation-vibration problem of a molecule. This procedure (the Born-Oppenheimer, BO, approximation) neglects the coupling between the nuclear and electronic movemen