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.
Main goal of this note is
to introduce fundamental concepts of Quantum Mechanics with emphasis on Quantum
Dynamics and its applications to the description of molecular systems and their
inter actions with electromagnetic radiation.
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 book covers the following topics:
The Old Quantum Theory, Principles Of Classical Mechanics, Principles Op Quantum
Mechanics, The Quantum Mechanics Of Some Simple Systems, The Hydrogen Atom,
Atomic Structure, Group Theory, Electronic States Of Diatomic Molecules,
Elements Op Quantum Statistical Mechanics, The Principles Of Molecular
Spectroscopy.
Author(s): Henry
Eyring, John Walter and George E. Kimball
This note covers the following topics: What is Electronic
Structure Theory, Properties Predicted by Electronic Structure Theory,
Postulates of Quantum Mechanics, Dirac Notation, Slater Determinants, Simplified
Notation for the Hamiltonian, Matrix Elements of the Hamiltonian and One- and
Two-Electron Integrals.