Computational Materials Science From Ab Initio to Monte Carlo Methods /

• Main Authors: Ohno, Kaoru (Author, http://id.loc.gov/vocabulary/relators/aut), Esfarjani, Keivan (http://id.loc.gov/vocabulary/relators/aut), Kawazoe, Yoshiyuki (http://id.loc.gov/vocabulary/relators/aut)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2018.
• Edition: 2nd ed. 2018.
• Subjects: Optical materials.; Electronic materials.; Physics.; Chemistry, Physical and theoretical.; Nanotechnology.; Solid state physics.; Optical and Electronic Materials.; Numerical and Computational Physics, Simulation.; Theoretical and Computational Chemistry.; Solid State Physics.

This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation t...