
 

This section contains free ebooks and guides on Quantum Chemistry, some of the resources in this section can be viewed online and some of them can be downloaded.




Undergraduate Quantum ChemistryJussi ElorantaPDF  388 Pages  EnglishThis 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.
 Lectures on Advanced Quantum MechanicsF. J. DysonOnline  149 Pages  EnglishThis 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.
 Quantum Chemistry by Eric R. BittnerEric R. BittnerPDF  215 Pages  EnglishThe purpose of this
course is to provide a solid and mathematically rigorous tour through modern
quantum mechanics. Topics covered includes: Waves and Wavefunctions, Postulates
of Quantum Mechanics, Bound States of The Schroodinger Equation, Quantum
Mechanics in 3D , Perturbation theory, SemiClassical Quantum Mechanics, Many
Body Quantum Mechanics.
 Advanced Quantum ChemistryPekka ManninenPDF  124 Pages  EnglishThis book explains the following
topics: Manyelectron quantum mechanics, Exact and approximate wave functions,
The Hartree–Fock theory, Configuration interaction, Coupledcluster theory,
Basis sets and molecular integrals, Accounting for the effects of special
relativity, Second quantization and Performance of the electronicstructure
models.
 Quantum Chemistry IS.
M. BlinderOnline  NA Pages  EnglishThis 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.
 Quantum Chemistry IIEric R BittnerOnline  NA Pages  EnglishThis note
covers the following topics: Survey of Classical Mechanics, Waves and
Wavefunctions, SemiClassical Quantum Mechanics, Postulates of Quantum
Mechanics, Bound States of The Schrodinger Equation, Quantum Mechanics,
Perturbation theory and Many Body Quantum Mechanics.
 Computational Quantum ChemistryNAOnline  NA Pages  EnglishThis note provides a thorough grounding in
the main computational techniques used in modern quantum chemistry.
 Introductory Quantum Mechanics IProf.
Troy Van VoorhisOnline  NA Pages  EnglishThis lecture note written by Prof. Troy Van Voorhis covers the
fundamental concepts of quantum mechanics: wave properties, uncertainty
principles, Schrodinger equation, and operator and matrix methods.
 Quantum ChemistryHenry
Eyring, John Walter and George E. KimballOnline  410 Pages  EnglishThis 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.
 Introductory Quantum Mechanics IIProf.
Andrei TokmakoffOnline  NA Pages  EnglishThis lecture note covers topics in timedependent quantum
mechanics, spectroscopy, and relaxation, with an emphasis on descriptions
applicable to condensed phase problems and a statistical description of
ensembles.
 Nature of the Chemical BondWilliam
A. Goddard IIIPDF  300 Pages  EnglishThis 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.
 Chem1 Virtual Textbook  A Brief Review of Elementary Quantum Chemistry (PDF 50p)C. David
SherrillPDF  50 Pages  EnglishThis 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.
 Introduction to Electronic Structure TheoryC.
David SherrillOnline  NA Pages  EnglishThis 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
TwoElectron Integrals.
 On the Time Evolution of Wavefunctions in Quantum MechanicsC.
David SherrillOnline  NA Pages  EnglishThis 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.
 Introduction to Quantum Mechanics with Applications to ChemistryLinus
Pauling and Bright Wilson EOnline  NA Pages  EnglishThis 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.
 Modern Methods and Algorithms of Quantum ChemistryJohannes GrotendorstPDF  638 Pages  EnglishThis
book covers the following topics: Density functional theory, Ab initio molecular
dynamics, PostHartreeFock methods, Molecular properties, Heavyelement
chemistry, Linear scaling approaches, Semiempirical and hybrid methods, Parallel
programming models and tools, Numerical techniques and automatic
differentiation, Industrial applications.









