Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry

<p>Section I: Exponential Type Basis Quantum Chemistry<br>1. A Sturmian Approach to Photoionization of Molecules<br>2. General Coalescence Conditions for the Exact Wave Functions: Higher-Order Relations for Coulombic and Non-Coulombic Systems<br>3. Exponentially Correlated Wave Functions for Four-Body Systems<br>4. Analytic Formulas for Two-Center Two-Electron Integrals with Exponential Functions<br>5. Singlet and Triplet Bound State Spectra in the Four-Electron Be-Like Atomic Systems<br>6. An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multicenter Integrals Involving 1s Slater-Type Orbitals<br>7. Size-Extensivity Corrections in Single- and Multireference Configuration Interaction Calculations<br>8. Introducing a Polynomial Expression of Molecular Integrals for Algebraic the Molecular Orbital (MO) Equation<br>9. Analytic Calculation of Momentum Distribution and Compton Profiles of Atoms Using Hartree–Fock–Roothaan Method: Applications to Atoms 2 ≤ Z ≤ 10<br>10. Evaluation of One-Electron Basic Integrals of Irregular Solid Harmonics and Slater-Type Orbitals Using Fourier Transforms </p> <p>Section II: Electron Correlation in Molecules and Solids <br>11. Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches<br>12. Application of the Space-Pseudo-Time Method to Density Functional Theory<br>13. Potential Energy Curves of NaK Molecule from All-Electron Multireference-Coupled Cluster Calculations<br>14. The Correlation Effects in Density Functional Theory Along the Dissociation Path<br>15. Introduction to the Variational and Diffusion Monte Carlo Methods<br>16. Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions<br>17. X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization<br>18. Electron Impact Atomic and Ionic Ionization: Analytical, Semiempirical, and Semiclassical Methods </p>