Proceedings of MEST 2012: Exponential Type Orbitals for Molecular Electronic Structure Theory

Edited by

  • Philip Hoggan, CNRS, University Blaise Pascal, France

Advances in Quantum Chemistry presents 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. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.
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Quantum chemists, physical chemists, physicists


Book information

  • Published: December 2013
  • ISBN: 978-0-12-411544-6

Table of Contents

Fully Correlated Wavefunctions for Three-and Four-Body Systems - Frank E. Harris and Victor V. Albert
Electron and Electron-Pair Number and Momentum Densities for Low-Lying States of He, H−, and Li+ - Ajit J. Thakkar and Shane P. McCarthy
A Basis Sets Composed of Only 1s Slater Orbitals and 1s Gaussian Orbitals to Perform Molecular Calculations, SCF-LCAO Approach - J. E. Pérez , O. E. Taurian, J. C. Cesco, A. E. Rosso, C. C. Denner, C. J. Alturria Lanzardo, F. S. Ortiz and A. Bouferguene
On a Transformation for the Electrostatic Potential, Generated by the Product of Two 1s Slater Type Orbitals, Giving an Efficient Expression - J. E. Pérez, O. E. Taurian, A. Bouferguene and Philip E. Hoggan
d-dimensional Kepler-Coulomb Sturmians and Hyperspherical Harmonics as Complete Orthonormal Atomic and Molecular Orbitals - Cecilia Coletti, Danilo Calderini and Vincenzo Aquilanti
Fast Electron Repulsion Integrals for Molecular Coulomb Sturmians - James Emil Avery
Three-Body Coulomb Problems with Generalized Sturmian Functions - G. Gasaneo, L. U. Ancarani, D. M. Mitnik, J. M. Randazzo, A. L. Frapiccini and F. D. Colavecchia
Further Improvements on - ETOs with Hyperbolic Cosine Functions and Their Effectiveness in Atomic Calculations - S. Aksoy, S. Firat and M. Erturk
Reducing and Solving Electric Multipole Moment Integrals - Niyazi Yükçü and Emin Öztekin
Recurrence Relations for Radial Parts of STOs and Evaluation of Overlap Integrals via the Fourier Transform Methods - S. Özay and E. Öztekin
On the β-decay in the Li and Li atoms - Maria Belen Ruiz and Alexei M. Frolov