Some Common Acronyms Used in Computational Quantum Chemistry

Appendix 2.1 Some Common Acronyms Used in Computational Quantum Chemistry 

Becke-Lee-Yang-Parr gradient-corrected functional for use with 

Complete active space self-consistent field 

Extended Hiickel theory Generalised valence bond model Hartree-Fock 

Highest occupied molecular orbital Intermediate neglect of differential overlap Linear combination of atomic orbitals Local density approximation Local spin density functional theory Lowest unoccupied molecular orbital Many-body perturbation theory Modified INDO version 3 Modified neglect of diatomic overlap Molecular orbital Moller-Plesset 

---