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Advances in quantum chemistry. Volume 33, Density functional theory

Author: Per-Olov Löwdin; Jorge M Seminario
Publisher: Burlington : Elsevier, 1998.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:
This volume presents a summary of density functional theory and its applications in chemistry from atomic physics to molecular dynamics.
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Genre/Form: Electronic books
Additional Physical Format: Print version:
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Per-Olov Löwdin; Jorge M Seminario
ISBN: 9780080582580 0080582583
OCLC Number: 437245285
Description: 1 online resource
Contents: Front Cover; Advances in Quantum Chemistry: Density Functional Theory; Copyright Page; Contents; Contributors; Preface; Chapter 1. Why Density-Gradient Corrections Improve Atomization Energies and Barrier Heights; Chapter 2. Second-Order Relations Involving Correlation Energy and Its Functional Derivative; Chapter 3. Asymptotic Properties of the Optimized Effective Potential; Chapter 4. Recent Developments in the Local-Scaling Transformation Version of Density Functional Theory; Chapter 5. In Search of the Correlation Potential. Chapter 6. The n-Particle Picture and the Calculation of the Electronic Structure of Atoms, Molecules, and SolidsChapter 7. Gradient-Corrected Exchange Potential Functional with the Correct Asymptotic Behaviour; Chapter 8. Auxiliary Field Representation of Fermion Kinetic Energy Density Functional; Chapter 9. Using the Exact Kohn-Sham Exchange Energy Density Functional and Potential to Study Errors Introduced by Approximate Correlation Functionals; Chapter 10. Quantum Chem.
Other Titles: Density functional theory
Responsibility: edited by Per-Olov Lowdin.

Abstract:

This volume presents a summary of density functional theory and its applications in chemistry from atomic physics to molecular dynamics.

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