Numerical Methods in Chemistry - lecture
Selected numerical methods and their application in chemistry: Linear equations, Ordering, Random numbers, Non-linear set of equations, Roots of polynomials, Search for minima and maxima, Numerical differentiates, integrals, interpolation techniques, Parameter fitting, Eigenvalues, Differential equations, Fourier transformation, Search for global minima, Neural networks, Principal component analysis.
Attila Császár - Gergely Tóth: lecture notes
C. Lanczos: Numerical Analysis, Dover: New York, 1976
R. W. Hamming, Numerical Methods for Scientists and Engineers, Dover: New York, 1987
T. Sauer, Numerical Analysis, 2nd ed., Pearson Education: Harlow, 2014 Suggested: F. B. Hildebrand: Introduction to Numerical Analysis, Dover: New York, 1987
E. Isaacson, H. B. Keller: Analysis of Numerical Methods, Dover: New York, 1994