Description

Book Synopsis
This text gives a general introduction to the propagator concept, how it can be used to study atomic and molecular properties and spectra, and provides examples and technical details of its use in various common approximate treatments as well as some illustrative applications.

Table of Contents
1. Introduction.

2. Differential Equations.

3. Propagators and Second Quantization.

4. Double-Time Green's Functions.

5. The Excitation Propagator.

6. Interaction of Radiation and Matter.

7. Temperature Dependent Perturbation Theory.

8. Molecules in Magnetic Fields.

9. Electron Propagator in Higher Order Treatments.

10. Atomic and Molecular Orbitals.

11. The Pariser-Parr-Pople Model.

12. The Excitation Propagator in Higher Orders.

13. Propagators and Chemical Reaction Rate.

Appendix A: Complex Calculus Primer.

Appendxi B: First and Second Quantization.

Appendix C: Stability of Hartree-Fock Solutions.

Appendix D: Third-Order Self-Energy.

Appendix E: Temperatures-Dependent Propagators.

Appendix F: The Eckart Potential and its Propagator.

Index.

Propagators in Quantum Chem 2e

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    A Hardback by Jan Linderberg, Yngve Öhrn

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      Publisher: John Wiley & Sons Inc
      Publication Date: Publication Date: 20/04/2004
      ISBN13: 9780471662570, 978-0471662570
      ISBN10: 0471662577
      Also in:
      Chemistry

      Description

      Book Synopsis
      This text gives a general introduction to the propagator concept, how it can be used to study atomic and molecular properties and spectra, and provides examples and technical details of its use in various common approximate treatments as well as some illustrative applications.

      Table of Contents
      1. Introduction.

      2. Differential Equations.

      3. Propagators and Second Quantization.

      4. Double-Time Green's Functions.

      5. The Excitation Propagator.

      6. Interaction of Radiation and Matter.

      7. Temperature Dependent Perturbation Theory.

      8. Molecules in Magnetic Fields.

      9. Electron Propagator in Higher Order Treatments.

      10. Atomic and Molecular Orbitals.

      11. The Pariser-Parr-Pople Model.

      12. The Excitation Propagator in Higher Orders.

      13. Propagators and Chemical Reaction Rate.

      Appendix A: Complex Calculus Primer.

      Appendxi B: First and Second Quantization.

      Appendix C: Stability of Hartree-Fock Solutions.

      Appendix D: Third-Order Self-Energy.

      Appendix E: Temperatures-Dependent Propagators.

      Appendix F: The Eckart Potential and its Propagator.

      Index.

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