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Table Of Contents

1.1 The Linear Algebra of Quantum Mechanics and Quantum Chemistry
1.2 The Vibrational Modes of Molecules
2.1 Vector Spaces
2.2 Introduction of a Metric
2.3 The Eigenvalue Problem
2.4 The Generalized Eigenvalue Problem
2.5 Linear Algebra Exercises:
3 Hückel Theory of Delocalization
4.1 The One -Dimensional Oscillator
4.2 Multidimensional vibrations in molecules
4.3 Example 1 - A Two-Dimensional Vibration
4.4 Example 2 - Normal Modes of a Linear Chain Molecule
4.5 Exercises on Normal Mode Analysis
4.6 Appendix- Multidimensional TaylorSeries Expan- sion
5.1 Simple Form
5.2 Arbitrary Interval
5.3 Complex form
5.4 Exercises on Fourier Series:
6.1 The -Function
6.2 Properties of the Fourier Transform
6.3 Fourier Series and Transforms in Higher Dimen- sion
6.4 Exercises on Fourier Transforms:
7.1 Single Particle Scattering
7.2.1 Constructive and destructive interference:
7.2.2 Scattering from a continuous medium
7.3 Exercises on Di¤raction
8.1 Monochromatic Light Source
8.2 Exercises on Fourier Spectroscopy:
9.1.1 Properties of the Laplace transform: LP= Laplace trans- form
9.1.2 Small table of Laplace transforms:
9.2 Applications of Laplace Transforms
9.3 Exercises on Laplace Transforms:
10.1.3 Reduction by Variable Transformation:
10.2 Method of Exact Di¤erentials:
10.3 Method of Integrating Factors:
10.4 Factorization Method:
10.5 Linear Ordinary Di¤erential Equations
10.6 Known Second Order Di¤erential Equations:
10.7 Exercises on Ordinary Di¤erential Equations:
11.1 Separation of Variables
11.2 Integral Transform Method
11.3 Exercises on Partial Di¤erential Equations:
12.1 Numerical Di¤erentiation
12.2.1 Direct Taylor Series Expansion Methods
12.2.2 Runge-Kutta Methods
12.3 Exercises:
13.1 Simplest Case - One-Dimensional Oscillation
13.2 Two-Dimensional Oscillation
13.3 Exercises:
13.4 Timedevelopmentofa1Doscillator-NUMSIM.FOR
14 Timedevelopment of two anharmonically coupled oscillators - MD2OSC.FOR
15 Numerical Integration
16.1 The Global Monte Carlo Method
16.2 The Metropolis Monte Carlo Method
16.3 Exercise:
16.4 Appendix - The MC1DT.FOR program
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Math Chem Course

Math Chem Course

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Published by Skarlman

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Published by: Skarlman on Sep 13, 2011
Copyright:Attribution Non-commercial


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