Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry: Volume 73

Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry: Volume 73

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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.
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Product details

  • Hardback | 440 pages
  • 152 x 229 x 22.86mm | 860g
  • Academic Press Inc
  • San Diego, United States
  • English
  • 0128030607
  • 9780128030608

Table of contents

A Sturmian Approach to Photoionization of Molecules
General Coalescence Conditions for the Exact Wave Functions: Higher-Order Relations for Coulombic and Non Coulombic Systems
Exponentially Correlated Wave Functions for Four-Body Systems
Analytic Formulas for Two-Center Two-Electron Integrals with Exponential Functions
Singlet and Triplet Bound State Spectra in the Four-Electron Be-Like Atomic Systems
An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multi-Centre Integrals Involving 1s Slater Type Orbitals
Size-extensivity Corrections in Single- and Multi-Reference Configuration Interaction Calculations
Introducing a Polynomial Expression of Molecular Integrals for Algebraic the Molecular Orbital (Mo) Equation
Analytic Calculation of Momentum Distribution and Compton Profiles of Atoms Using Hartree-Fock-Roothaan Method, Applications to Atoms 2 â ¤ Z â ¤ 10
Evaluation of One-Electron Basic Integrals of Irregular Solid Harmonics and Slater Type Orbitals using Fourier Transforms
Excitation Energies of Molecules from Ensemble Density Functional Theory. Multi-Configuration Approaches
Application of the Space-Pseudo-Time Method to Density Functional Theory
Potential Energy Curves of NaK Molecule from all-Electrons Multireference Coupled Cluster Calculations
The Correlation Effects in Density Functional Theory Along the Dissociation Path
Introduction to the Variational and Diffusion Monte Carlo Methods
Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions
X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localisation
Electron Impact Atomic and Ionic Ionization: Analytical, Semi-Empirical and Semiclassical Methods
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About Philip E. Hoggan

Philip Hoggan is from Aberyswyth. He was admitted to Trinity College, Cambridge after the entrance exam in 1978. He graduated in 1983 in Natural Sciences (Theoretical chemistry) then went to France for a year's post-graduate study but has not returned to live in the UK since. He was appointed lecturer at Caen in 1992 and researched with a catalysis CNRS team until 1998 when he was given a professorship in Clermont Ferrand. PH is also visiting professor of theoretical physics at FAMU, Tallahassee, Florida, which was cemented by stays totaling over a year in 2003 and 2004 as well as other shorter visits. Since then, research in France has been re-structured into large Institutes, so PH has been attached to a Surface Physics research team since 2005 in the large Physics institute called 'Institut Pascal' or UMR CNRS 6602. PH is married to a leading biochemist and they have twin daughters. Extra-curricular interests include rugby (PH played for 30 years starting age 11), theatre (PH acted, mostly whilst a student in English, French and Russian language productions) and archeology (mostly bronze-age in a broad sense). I was born in 1971 in Tatvan/Turkey, where I studied my primary and secondary education. In 1994, I graduated from the Physics Department of Faculty of Education in 19 Mayis University and in 1997, I completed my master dissertation named "Investigation of DEPT and 2D DEPT J-Resolved NMR of Some Spin Systems by Product Operator Theory". I finished my doctoral thesis named "Combined Theory of Electric Multipole Moment Tensors and Application to Polyatomic Molecules" in 2000. I have been in Erlangen University in Germany as a researcher for 3 months and after this I was assigned to the Rize Faculty of Arts and Sciences in Black Sea Technical University as an Assist. Proffessor. In 2007, I became Assoc. Professor in Department of Physics in Atomic and Molecular Physics in Recep Tayyip Erdogan University and worked in the same position until 2013. Same year, I became a Professor and started to work at Amasya University, Computer and Instructional Technologies Education Program of Faculty of Education and I am still working at the same university and department.
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