Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry

Spectra Bessel functions Integral representations X-ray diffraction Localization, Algebraic equation DFT Few-body Problems Polynomial Cross sections SCS Electron density Affine space Configuration Interaction Fourier transform Correlation Bound states Molecular Orbital ÖP Ab initio DFT Auxiliary Function Beryllium atom Be-like ions Compton profile Extremely Localized Molecular Orbitals Exponentially correlated wavefunctions Gaussian expansions Correlation potential Gröbner basis Generalized Sturmian functions Hartree-Fock-Roothaan method Interaction energy Double-electron affinity Irregular solid harmonics Multicenter integrals Multireference Fock space method Li atom Momentum Density Nuclear attraction integrals NaK molecule Optimized effective potential Gaunt coefficient Gauss transforms Potential energy curves Photoionization molecules Spin-component-scaled Slater-type orbitals theoretical methods STO X-Ray constrained wave function Molecular integral Numerical quadratures Standard basis Slater orbitals