Novel Electronic Structure Theory

General Innovations and Strongly Correlated Systems

By: Philip E. Hoggan

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eText | 3 January 2018 | Edition Number 1

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Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances in Quantum Chemistry series presents work and reviews of current work in quantum chemistry (molecules), but also includes scattering from atoms and solid state work of interest in physics. Topics covered in this release include the Present Status of Selected Configuration Interaction with Truncation Energy Error, Recent Developments in Asymptotic Expansions from Numerical Analysis and Approximation Theory, The kinetic energy Pauli enhancement factor and its role in determining the shell structure of atoms and molecules,

Numerical Hartree-Fock and Many-Body Calculations for Diatomic Molecules, and more.