Description

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.

Key Features

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field and this volume focuses on the theory of heavy ion physics in medicine.

Readership

Quantum chemists, physical chemists, physicists

Table of Contents

  • Preface
    • Reference
  • Part 1: Exponential Type Orbitals
  • Chapter 1. Fully Correlated Wavefunctions for Three- and Four-Body Systems
    • Abstract
    • 1 Introduction
    • 2 Wavefunctions
    • 3 Operators and matrix elements
    • 4 Wavefunction optimization
    • 5 Results: three-body problems
    • 6 Results: four-body problems
    • 7 Conclusion
    • Acknowledgments
    • References
  • Chapter 2. Electron and Electron-Pair Number and Momentum Densities for Low-Lying States of He, H, and Li+
    • Abstract
    • 1 Introduction
    • 2 Explicitly Correlated Wave Functions
    • 3 Calculations
    • 4 Position-Space Densities
    • 5 Momentum-Space Densities
    • 6 Concluding Remarks
    • Acknowledgment
    • References
  • Chapter 3. A Basis Sets Composed of Only 1s Slater Orbitals and 1s Gaussian Orbitals to Perform Molecular Calculations, SCF-LCAO Approach
    • Abstract
    • 1 Introduction
    • 2 The model of a free atom in this context
    • 3 Examples of atomic models
    • 4 Examples of molecular calculations
    • 5 Concluding remarks
    • Acknowledgments
    • References
  • Chapter 4. On a Transformation for the Electrostatic Potential, Generated by the Product of Two 1s Slater Type Orbitals, Giving an Efficient Expression
    • Abstract
    • 1 Introduction
    • 2 Method
    • 3 Results
    • 4 Concluding remarks
    • Acknowledgments
    • References
  • Chapter 5. d-Dimensional Kepler–Coulomb Sturmians and Hyperspherical Harmonics as Complete Orthonormal Atomic and Molecular Orbitals
    • Abstract
    • 1 Introduction
    • 2 Sturmian basis functions in configuration space
    • 3 A momentum space perspective
    • 4 Applications to atomic and molecular problems
    • 5 Addi

Details

No. of pages:
312
Language:
English
Copyright:
© 2013
Published:
Imprint:
Academic Press
Print ISBN:
9780124115446
Electronic ISBN:
9780124115590