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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 
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 Molecules for Innovations
This book is devoted for the theoretical foundations and innovative applications in quantum chemistry. Topics covered includes: Numerical Solution of Linear Ordinary Differential Equations in Quantum Chemistry by Spectral Method, Composite Method Employing Pseudopotential at CCSD(T) Level, Quantum Chemical Calculations for some Isatin Thiosemicarbazones, Elementary Molecular Mechanisms of the Spontaneous Point Mutations in DNA, Quantum Chemistry and Chemometrics Applied to Conformational Analysis, Charge Carrier Mobility in Phthalocyanines, Theoretical Study for High Energy Density Compounds from Cyclophosphazene.
Author(s): Tomofumi Tada
212 Pages
This note covers the following topics: quantum information theory, quantum algorithms, and quantum error correction.
Author(s): John Preskill
NA 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
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 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
410 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 Pages
Introduction to Electronic Structure Theory
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.
Author(s): C. David Sherrill
NA PagesAdvertisement
