Advanced Quantum Chemistry by Patrik R. Callis by Patrik R. Callis
File Type :Online Number of Pages :NA
Description Scope of
this note is to explain applications of quantum mechanics to manyelectron atoms
and molecules, concentrating on stationary and timedependent 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,
BornOppenheimer approximation, Integration of symmetry and group theory in the
context of quantum mechanics, Time dependent Schrodinger Equation, Time
Dependence of Probability Density, Atomcentered Density Matrix Propagation.
