Chemistry BooksQuantum Chemistry Books

Introduction to Quantum Mechanics with Applications to Chemistry

Advertisement

Introduction to Quantum Mechanics with Applications to Chemistry

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):

sNA Pages
Similar Books
Quantum Chemistry by Mark S. Gordon

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.

sNA Pages
Quantum         Computation

Quantum Computation

This note covers the following topics: quantum information theory, quantum algorithms, and quantum error correction.

sNA Pages
Undergraduate Quantum Chemistry

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.

s388 Pages
Advanced Quantum Chemistry

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.

s124 Pages
Quantum Chemistry I

Quantum Chemistry I

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.

sNA Pages
Nature of the Chemical Bond

Nature of the Chemical Bond

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.

s300 Pages
A Brief Review of Elementary Quantum Chemistry (PDF 50p)

A Brief Review of Elementary Quantum Chemistry (PDF 50p)

This note covers the following topics: Motivation for Quantum Mechanics, The Schrodinger Equation, Postulates of Quantum Mechanics, Some Analytically Soluble Problems, Approximate Methods, Molecular Quantum Mechanics, Solving the Electronic Eigenvalue Problem.

s50 Pages
On the Time Evolution of Wavefunctions in Quantum Mechanics

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.

sNA Pages

Advertisement