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This document discusses basis sets used for electron correlation calculations. It begins by explaining that correlated wavefunction models require an accurate representation of both the one-electron and two-electron densities, unlike uncorrelated models. The document then provides an overview of topics including the Coulomb hole, basis set convergence of the correlation energy using different methods, and partial wave and principal expansions. It discusses challenges representing the Coulomb cusp condition

Author

Rupali Mane

Language

EN