Category:Quantum chemistry

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Quantum chemistry, a branch of theoretical chemistry, deals with the application of quantum mechanics to questions in chemistry. For more information, see the article on quantum chemistry.

Subcategories

There is one subcategory to this category shown below (more may be shown on subsequent pages).

D

• Density functional theory

Pages in category "Quantum chemistry"

There are 101 pages in this section of this category.

Quantum chemistry A AM1 Ab initio multiple spawning Atoms in Molecules Autoionization Avoided crossing B Basis set (chemistry) Basis set superposition error Bent's rule Born-Huang approximation Born-Oppenheimer approximation C CNDO/2 Chemical bond Common-ion effect Complete active space Configuration interaction Configuration state function Conical intersection Core electron Coulomb operator Coupled cluster D Degenerate orbitals Diabatic Diffusion Monte Carlo Direct quantum chemistry Dyall Hamiltonian E Eckart conditions Quantum electrochemistry Electron cloud Electron configuration Electron density Electron hole Electron shell

E cont. Electronic correlation Electronic density Energy level Exchange operator F Feshbach resonance Fock matrix Forbidden mechanism Franck-Condon principle Full configuration interaction G GF method Gaussian orbital Gaussian quantum Monte Carlo Green's function H HOMO/LUMO Hartree-Fock Hubbard model Hückel method Hückel's rule I INDO Inert pair effect International Academy of Quantum Molecular Science Ionization Ionization potential J Jahn-Teller effect K K-alpha Kasha's rule Koopmans' theorem L Linear combination of atomic orbitals molecular orbital method M MINDO MNDO Molecular Hamiltonian Molecular orbital Molecular orbital theory Molecular term symbol

M cont. Morse potential Multi-configuration time-dependent Hartree Multi-configurational self-consistent field Multireference configuration interaction Møller-Plesset perturbation theory N N-Electron Valence state Perturbation Theory NDDO O Open shell Orbital hybridisation Overlap matrix P Pariser–Parr–Pople method Path integral Monte Carlo Post-Hartree-Fock Potential energy surface Q Quantum Monte Carlo Quantum mineralogy R RRKM theory Reaction coordinate Relativistic quantum chemistry Reptation Monte Carlo Ritz method Roothaan equations S Secondary ionization Shielding effect Siegbahn notation Size consistency Slater-type orbital Sonochemistry State-universal coupled cluster T Tight binding (physics) V VSEPR theory Variational Monte Carlo Vibronic coupling Vibronic transition

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Categories: Quantum mechanics | Atomic, molecular, and optical physics | Theoretical chemistry | Physical chemistry

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• This page was last modified 00:16, 6 February 2007 by Anonymous user(s) of Wikipedia. Based on work by Wikipedia user(s) Escarbot, Tsiaojian lee, 16@r, *drew, Karol Langner, Linas and SeventyThree.
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