Computational Chemistry

Claude Le Bris (Author)

9780444512482

Hardback, published 30 May 2003

0 pages
24.1 x 15.9 x 1.3 cm, 1.79 kg

"...A clear and detailed overview of the concepts, methods and problems encountered using numerical path following." -- Newsletter on Computational and Applied Mathematics, 1998"...this is an immensely thorough text, densely filled..." --Ultramiscroscopy, Vol. 80, 2000"...the volume would be a delight to the mathematically-oriented readers..." --Karmeshu and S Balasundaram, Journal of Scientific and Industrial Research, Vol. 59, 2000

Aiming to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale, this book lays the emphasis on the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical analysis, stochastic analysis, numerical analysis, and the text should be suitable for graduate students in mathematics, sciences and engineering and technology.

Subject Areas: Chemistry [PN], Numerical analysis [PBKS], Calculus & mathematical analysis [PBK]