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 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 note covers the following topics: Theoretical Background, Bulk NaCl and
NaCl(001), Monoatomic Steps on NaCl(001), Halogen Adatoms on Alkali Halide
Surfaces, Towards a High Precision Estimate of the Adsorption Energy of Water on
Salt, Hybrid xc Functionals for Water Adsorption on NaCl(001) and Electronic
Structure Analysis.
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 note covers the following topics: Atoms and Photons, Waves and
Particles, Quantum Mechanics of Some Simple Systems, Principles of Quantum
Mechanics, Harmonic Oscillator, Angular Momentum, Hydrogen Atom, Helium Atom,
Atomic Structure & the Periodic Law, Molecular Orbital Theory, Molecular
Symmetry, Molecular Spectroscopy, Nuclear Magnetic Resonance.
This lecture note covers topics in time-dependent quantum
mechanics, spectroscopy, and relaxation, with an emphasis on descriptions
applicable to condensed phase problems and a statistical description of
ensembles.
This note covers the following topics: The
Classical Coupled Mass Problem, Decoupling of Equations in Quantum Mechanics,
Basis Functions in Coordinate Space, Matrix Version and Dirac Notation Version.