@inproceedings{3a3c1004657a4cecad055eae7ff2abc7,
title = "Mathematical models and numerical methods for electronic structure calculation",
abstract = "This contribution provides a pedagogical introduction for mathematicians to the field of electronic structure calculation. The N-body electronic Schr{\"o}dinger equation and the main methods to approximate the solutions to this equation (wavefunction methods, density functional theory, quantum Monte Carlo) are presented. The numerical simulation of the resulting models, the construction of electronic structure models for systems with infinitely many electrons (perfect crystals, crystals with local defects, disordered materials) by means of thermodynamic limits, and the modeling and simulation of molecules interacting with complex environments, are discussed.",
keywords = "Materials science, Numerical methods, Quantum chemistry, Schr{\"o}dinger equation, Solid state physics, Variational methods",
author = "Eric Canc{\`e}s",
note = "Publisher Copyright: {\textcopyright} 2014 by Seoul ICM 2014 Organizing Committee. All rights reserved.; 2014 International Congress of Mathematicans, ICM 2014 ; Conference date: 13-08-2014 Through 21-08-2014",
year = "2014",
month = jan,
day = "1",
language = "English",
series = "Proceeding of the International Congress of Mathematicans, ICM 2014",
publisher = "KYUNG MOON SA Co. Ltd.",
pages = "1017--1042",
editor = "Jang, \{Sun Young\} and Kim, \{Young Rock\} and Dae-Woong Lee and Ikkwon Yie and Kim, \{Young Rock\} and Dae-Woong Lee and Ikkwon Yie",
booktitle = "Invited Lectures",
}