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Advanced Quantum Chemistry by Patrik R. Callis
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.
Author(s): Patrik R. Callis
NA Pages
Quantum Chemistry Introductory Material
This note explains theoretical background in Quantum Chemistry and also provides an Overview about GAMESS Program and Applications.
Author(s): Mark S. Gordon
NA Pages
Lectures on Advanced Quantum Mechanics
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.
Author(s): F. J. Dyson
149 Pages
Introductory Quantum Chemistry
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.
Author(s): Prof. Victor S. Batista
220 Pages
This book explains the basic elements of quantum mechanics with some treatment of the hydrogen atom, the harmonic oscillator, and angular momentum. It will concentrate on the explanation of the structure and reactivity of molecules using quantum mechanical ideas.
Author(s): William A. Goddard III
300 Pages
Currently this section contains no detailed description for the page, will update this page soon.
Author(s): NA
NA Pages
On the Time Evolution of Wavefunctions in Quantum Mechanics
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.
Author(s): C. David Sherrill
NA Pages
Introduction to Quantum Mechanics with Applications to Chemistry
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.
Author(s): Linus Pauling and Bright Wilson E
NA Pages
