The following acronyms are often used in the source code (and the documentation).
These acronyms will often occur in lower case due to coding conventions. When a class represents just one of these terms, longer names may be used for the sake of clarity. Unit conversion constants are not abbreviated.
- AP1roG – Antisymmetric Product of 1-reference orbital Geminal
- DM – Density Matrix
- DFT – Density Functional Theory
- ER – Electron repulsion
- GDB – Gaussian Density Basis
- GOB – Gaussian Orbital Basis
- GPT – Gaussian Product Theorem
- HF – Hartree Fock
- KIN – Kinetic Energy
- LF – Linear Algebra Factory, i.e. class that bundles a set of related linear algebra routines.
- MP2 – 2-nd order Moller-Plesset perturbation theory
- NA – Nuclear Attraction
- OLP – Overlap
- SQ (as suffix, e.g.
dist_sq) – Squared
- WFN – Wave Function