The purpose of the summer school is to provide a general and self-contained introduction to electronic structure theory.
At the end of this course, students will have a solid grasp of basic concepts in quantum mechanics, ground state electronic structure theory and linear response analysis, and be ready to perform research on frontier topics in applied analysis and numerical methods for electronic structure theory.
Lin Lin (UC Berkeley and LBNL), Jianfeng Lu (Duke University)
Applicants should be familiar with differential and integral calculus, linear algebra, numerical analysis and partial differential equations (at the level of [Bra] and [Str], see below). Knowledge of quantum mechanics is not required to attend the course, but will be helpful. The lectures will also be integrated with sessions for programming. Applicants should have some experience using MATLAB, which will be used in these sessions. Each student should bring a laptop, and we strongly recommend installing MATLAB before the start of the summer school.
[Bra] B. Bradie, A Friendly Introduction to Numerical Analysis
[Str] W. Strauss, Partial Differential Equations: An Introduction
To complement the main course instruction there will be lectures in the afternoon by local UC Berkeley and LBNL experts presenting recent research directions for electronic structure theory.
Part I. Basic quantum mechanics
1. Finite state space quantum mechanics
2. Schrodinger equation
3. Hydrogen atom
4. Identical particles
Part II. Ground state electronic structure theory
1. Many body Hamiltonian and Hartree-Fock theory
2. Kohn-Sham density functional theory
3. Numerical solution of density functional theory
4. Localization: Algorithms and analysis
Part III. Linear response theory
1. Perturbation theory for quantum mechanics
2. Density functional perturbation theory
3. Time dependent density functional theory
Lin Lin (UC Berkeley and LBNL), Jianfeng Lu (Duke University), James Sethian (UC Berkeley and LBNL)