Applied Mathematics for Physical Chemistry – James R. Barrante – 2nd Edition


Unique in its approach, content, and perspective, this book helps readers bridge the application gap between mathematics and chemistry and to acquire a fuller set of mathematical tools necessary for such applications. Using an abundance of fully-worked examples, it shows step-by-step how to directly apply mathematics to physical chemistry problems.

It features numerous problems, many multi-part, that use the symbolism found in standard physical chemistry books or involve actual physical chemistry equations. It offers full-chapter coverage of many important topics relegated to appendices in other books. It also provides a full chapter on numerical methods and computer programming showing step-by-step how to write programs to do numerical integration, and covers areas of advanced mathematics — e.g., differential equations and operator mechanics.

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  • 1. Coordinate Systems.
    Cartesian Coordinates. Plane Polar Coordinates. Spherical Polar Coordinates. Complex Numbers.

    2. Functions and Graphs.
    Functions. Graphical Representation of Functions. Roots to Polynomial Equations.

    3. Logarithms.
    General Properties of Logarithms. Common Logarithms. Natural Logarithms.

    4. Differential Calculus.
    Functions of Single Variables. Functions of Several Variables-Partial Derivatives. The Total Differential. Derivative as a Ratio of Infinitesimally Small Changes. Geometric Properties of Derivatives. Constrained Maxima and Minima.

    5. Integral Calculus.
    Integral as an Antiderivative. General Methods of Integration. Special Methods of Integration. The Integral as a Summation of Infinitesimally Small Elements. Line Integrals. Double and Triple Integrals.

    6. Infinite Series.
    Tests for Convergence and Divergence. Power Series Revisited. Maclaurin and Taylor Series. Fourier Series and Fourier Transforms.

    7. Differential Equations.
    Linear Combinations. First-Order Differential Equations. Second-Order Differential Equations. with Constant Coefficients. General Series Methods of Solution. Special Polynomial Solutions to Differential Equations. Exact and Inexact Differentials. Integrating Factors. Partial Differential Equations.

    8. Scalars and Vectors.
    Addition of Vectors. Multiplication of Vectors. Applications.

    9. Matrices and Determinants.
    Square Matrices and Determinants. Matrix Algebra.

    10. Operators.
    Vector Operators. Eigenvalue Equations Revisited. Hermitian Operators. Rotational Operators. Transformation of ∇2 to Plane Polar Coordinates.

    11. Numerical Methods and the Use of the Computer.
    Graphical Presentation. Numerical Integration. Roots to Equations. Fourier Transforms Revisited-Macros.

    12. Mathematical Methods in the Laboratory.
    Probability. Experimental Errors. Propagation of Errors. Preparation of Graphs. Linear Regression. Tangents and Areas.

    Appendix 1. Table of Physical Constants.
    Appendix 2. Table of Integrals.
    Appendix 3. Transformation of ∇2 Spherical Polar Coordinate.
    Appendix 4. Stirling's Approximation.
    Appendix 5. Solving a 3x3 Determinant.
    Appendix 6. Statistics.
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