Electron correlation in molecules – ab initio beyond Gaussian quantum chemistry 1st Edition
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Electron correlation in molecules — ab initio beyond Gaussian quantum chemistry 1st Edition- Ebook Instant Download/Delivery ISBN(s): 9780128030608,9780128030615,0128030607,0128030615
Product details:
- ISBN 10: 0128030615
- ISBN 13:9780128030615
- Author: Philip E. Hoggan, Telhat Ozdogan
Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology.
Table contents:
Chapter One: A Sturmian Approach to Photoionization of Molecules
Chapter Two: General Coalescence Conditions for the Exact Wave Functions: Higher-Order Relations for Coulombic and Non-Coulombic Systems
Chapter Three: Exponentially Correlated Wave Functions for Four-Body Systems
Chapter Four: Analytic Formulas for Two-Center Two-Electron Integrals with Exponential Functions
Chapter Five: Singlet and Triplet Bound State Spectra in the Four-Electron Be-Like Atomic Systems
Chapter Six: An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multicenter Integrals Involving 1s Slater-Type Orbitals
Chapter Seven: Size-Extensivity Corrections in Single- and Multireference Configuration Interaction Calculations
Chapter Eight: Introducing a Polynomial Expression of Molecular Integrals for Algebraic the Molecular Orbital (MO) Equation
Chapter Nine: Analytic Calculation of Momentum Distribution and Compton Profiles of Atoms Using Hartree–Fock–Roothaan Method: Applications to Atoms 2 ≤ Z ≤ 10
Chapter Ten: Evaluation of One-Electron Basic Integrals of Irregular Solid Harmonics and Slater-Type Orbitals Using Fourier Transforms
Chapter Eleven: Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches
Chapter Twelve: Application of the Space-Pseudo-Time Method to Density Functional Theory
Chapter Thirteen: Potential Energy Curves of NaK Molecule from All-Electron Multireference-Coupled Cluster Calculations
Chapter Fourteen: The Correlation Effects in Density Functional Theory Along the Dissociation Path
Chapter Fifteen: Introduction to the Variational and Diffusion Monte Carlo Methods
Chapter Sixteen: Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions
Chapter Seventeen: X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization
Chapter Eighteen: Electron Impact Atomic and Ionic Ionization: Analytical, Semiempirical, and Semiclassical Methods
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