# Electron correlations in molecules and solids

@inproceedings{Fulde1991ElectronCI, title={Electron correlations in molecules and solids}, author={Peter Fulde}, year={1991} }

1. Introduction.- 2. The Independent-Electron Approximation.- 2.1 Starting Hamiltonian.- 2.2 Basis Functions and Basis Sets.- 2.3 Self-Consistent Field Approximation.- 2.4 Simplified SCF Calculational Schemes.- 2.4.1 Semi-empirical SCF Methods.- 2.4.2 Pseudopotentials.- 2.5 Koopmans' Theorem.- 2.6 Homogeneous Electron Gas.- 2.7 Local Exchange Potential - The Xa Method.- 2.8 Shortcomings of the Independent-Electron Approximation.- 2.9 Unrestricted SCF Approximation.- 3. Density Functional Theory…

## 528 Citations

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Ab initio wave-function-based methods are employed for the study of quasiparticle energy bands of zinc-blende ZnS, with focus on the Zn 3d "semicore" states. The relative energies of these states…

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From the theory of many-electron states in atoms, we know that there exists a strong Coulomb repulsion, which results in the electronic term structure of atoms and is responsible for Hund’s rules. By…

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A molecular dynamics method which allows us to determine the magnetic structures of itinerant magnets with a few hundred atoms in a unit cell has been developed on the basis of the functional…

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- PhysicsThe Journal of chemical physics
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Although electron correlations cause a pronounced shift of the quasiparticle band structure of the chains with respect to the Hartree-Fock result, the bandwidth essentially remains unaltered in contrast to, e.g., covalently bound compounds.

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- Chemistry
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We propose a numerically exact scheme to calculate the local electronic structure and magnetic
properties of correlated systems. The scheme employs the recently developed determinantal Continuous …