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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
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
Quantum Chemistry Introductory Material
This note explains theoretical background in Quantum Chemistry and also provides an Overview about GAMESS Program and Applications.
Author(s): Mark S. Gordon
NA Pages
This note covers the following topics: quantum information theory, quantum algorithms, and quantum error correction.
Author(s): John Preskill
NA 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 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
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.
Author(s): C. David Sherrill
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