[PDF] Handbook of Numerical Analysis : Special Volume: Computational Chemistry P.G. Ciarlet, J.L. Lions, C. Le Bris

Hardbound. The book aims to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale. The emphasis lays upon the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical analysis, stochastic analysis, numerical analysis.