Ebook: Density-Functional Theory of Atoms and Molecules

Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry.;Contents; 1. Elementary wave mechanics; 2. Density matrices; 3. Density-functional theory; 4. The chemical potential; 5. Chemical potential derivatives; 6. Thomas-Fermi and related models; 7. The Kohn-Sham method: Basic principles; 8. The Kohn-Sham method: Elaboration; 9. Extensions; 10. Aspects of atoms and molecules; 11. Miscellany; Appendix A: Functionals; Appendix B: Convex functions and functionals; Appendix C: Second quantization for fermions; Appendix D: The Wigner distribution function and the h semiclassical expansion; Appendix E: The uniform electron gas.