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Advanced Quantum Chemistry
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.
Author(s): Pekka Manninen
124 Pages 
Quantum Chemistry by Mark S. Gordon
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.
Author(s): Mark S. Gordon
NA Pages
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
Density Functional Theory and Quantum Chemistry Studies on dry and wet NaCl
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.
Author(s): vorgelegt von
102 Pages
Undergraduate Quantum Chemistry
This book describes the following topics: Introduction to quantum mechanics, Quantum mechanics of atoms, Quantum mechanics of molecules, Symmetry, Optical spectroscopy, Electronic spectroscopy, Magnetic Resonance Spectroscopy.
Author(s): Jussi Eloranta
388 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
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.
Author(s): Pekka Manninen
124 Pages
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.
Author(s): S. M. Blinder
NA Pages
Introductory Quantum Mechanics II
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.
Author(s): Prof. Andrei Tokmakoff
NA PagesAdvertisement
