Mathematics for Chemistry

IIT Kanpur Course , Prof. Madhav Ranganathan

Lecture 1:

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Lecture Details :

Mathematics for Chemistry by Dr. Madhav Ranganathan & Dr. P.P. Thankachan,Department of Chemistry and Biochemistry,IIT Kanpur.For more details on NPTEL visit http://nptel.ac.in

Course Description :

Scalars and Vectors: Scalars, Vectors, Vector Products, Vector Spaces, linear independence, basis, curvilinear coordinates, Tensors.Applications: Two body problem, Center of Mass and Relative coordinates - Vector Integration and Differentiation: Gradient, Divergence and Curl, Line Integrals, Surface integrals, volume integrals, Greens theorem, Stokes Theorem.Applications: Force, Work and Potentials. Path integrals - Matrix Algebra: Matrices, Rank, Determinants, Eigenvalues, Eigenvectors, System of Equations. Applications: Slater Determinants, Huckel MO theory - 1st order ODEs: Differential Equations of 1st order. Separation of variables, integrating factor, exact differentials, system of ODEs. Applications: Reaction rates.

2nd order differential equations: 2nd order differential equations with constant coefficients, general solution, particular solution, power series method. Applications: Angular Momentum Eigenfunctions for a single particle - Integral Transforms: Sturm-Liouville problem, basis functions, Fourier and Laplace transforms, dirac-delta functions. Applications: Power spectrum, momentum and position basis - Group Theory Basics: Group, subgroup, group multiplication table, symmetry operations, Great Orthogonality Theorem, Character Tables. Applications: This section is done with illustration of actual calculations - Symmetry adapted linear combinations, molecular motions, selection rules.Applications: This section is done with illustration of actual calculations - Data Analysis, Interpolation, least square fitting, asymptotic analysis, error estimates, random numbers, correlations. Applications: Fluctuations, noise, signal processing, scattering experiments - Numerical Methods: Taylor series, numerical differentiation and integration, matrix diagonalization methods.Applications: Perturbation method for radiation-matter interaction

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