Methods of Electronic-Structure Calculations

Bridging the Divide: A Comprehensive Guide to Electronic-Structure Calculations

Electronic-structure calculations have become indispensable in materials science over the past three decades. While numerous books exist on the subject, few comprehensively cover both traditional quantum chemistry and solid-state physics methods. This book fills that void by providing balanced coverage of density-functional and Hartree-Fock-based approaches.

Aimed at advanced undergraduate and po…