Scope of
this note is to explain applications of quantum mechanics to many-electron atoms
and molecules, concentrating on stationary and time-dependent electronic and
vibrational states. Topics covered includes: Need for quantum mechanics, Quantum
concepts and understanding quantum mechanics, Brief review of operators,
wavefunctions, and the Schrodinger equation with and without time, wavefunction
curvature, kinetic energy, and tunneling, Nodal properties of 3D wavefunctions
for various shapes, Physical relevance and the Rules of Quantum Mechanics,
Variation principle, linear variation method, and perturbation limit,
Born-Oppenheimer approximation, Integration of symmetry and group theory in the
context of quantum mechanics, Time dependent Schrodinger Equation, Time
Dependence of Probability Density, Atom-centered Density Matrix Propagation.
This note explains the following
topics: Introduction to Quantum Chemistry, Introduction to GAMESS, From
Schrodinger to Hartree-Fock, Basis Sets and Pseudopotentials, Density Functional
Theory, Introduction to MCSCF, Solvation Methods, Excited States Methods,
Composite Methods, Global Optimization and Coarse Graining.
This book explains the following
topics: The Dirac Theory, Scattering Problems and Born Approximation, Field
Theory, Examples of Quantized Field Theories, Free Particle Scattering Problems,
General Theory of Free Particle Scattering and Scattering By a Static
Potential.
This book explains the following
topics: Many-electron quantum mechanics, Exact and approximate wave functions,
The Hartree–Fock theory, Configuration interaction, Coupled-cluster theory,
Basis sets and molecular integrals, Accounting for the effects of special
relativity, Second quantization and Performance of the electronic-structure
models.
This lecture note written by Prof. Troy Van Voorhis covers the
fundamental concepts of quantum mechanics: wave properties, uncertainty
principles, Schrodinger equation, and operator and matrix methods.
This note covers the following topics: Survey Of
Classical Mechanics, The Old Quantum Theory, The Schrodinger Wave Equation With
The Harmonic Oscillator As An Example, The Wave Equation For A System Of Point
Particles In Three Dimensions, The Hydrogen Atom, Perturbation Theory, The
Variation Method And Other Approximate Methods, The Rotation And Vibration Of
Molecules.