2.8. Acronyms

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