Contact information

Instructors: Lin Lin and Jianfeng Lu


# Due date Questions
1 Tue. 7/21 Assignment1.pdf

Course materials

Reading materials
  • [Bar] S. Baroni, S. De Gironcoli, A. Dal Corso and P. Giannozzi, Phonons and related crystal properties from density-functional perturbation theory, Reviews of Modern Physics 73, 515 (2001) (Review on density functional perturbation theory)
  • [Bow] D. Bowler and T. Miyazaki, O(N) methods in electronic structure calculations, Reports on Progress in Physics, 75, 036503 (2012) (Review on linear scaling methods for density functional theory)
  • [Bur] K. Burke, ABC of DFT Available online Chap 1-8 (Basic concepts of electronic structure theory from a theoretical chemists’ viewpoint)
  • [Gus] S. Gustafson and I. Sigal, Mathematical Concepts of Quantum Mechanics Chap 1-8 (Rigorous treatment of basic concepts in quantum mechanics)
  • [Kax] E. Kaxiras, Atomic and Electronic Structure of Solids Appendix B. Elements of quantum mechanics (A crash course on quantum mechanics needed for electronic structure theory)
  • [Mar] R. Martin, Electronic structure: basic theory and practical methods Chap 6.1-6.3, 7.1-7.2, 9.1-9.7 (Kohn-Sham density functional theory) (Classical reference for electronic structure theory)
  • [Ree] M. Reed and B. Simon, Functional Analysis, Methods of Modern Mathematical Physics, vol. 1 (Classical reference for functional analysis with applications in quantum mechanics)
  • [Sak] J. Sakurai, Modern quantum mechanics, revised edition (Classical reference for quantum mechanics)