===================
Acronym definitions
===================

.. glossary::

   AO
      Atomic Orbital.

   ASCI
      Adaptive Sampling Configuration Interaction.

   AVAS
      Automated Valence Active Space.
      Method that projects molecular orbitals onto a target atomic orbital basis to identify valence active orbitals.

   BFGS
      Broyden–Fletcher–Goldfarb–Shanno quasi-Newton optimization algorithm.

   BSE
      Basis Set Exchange, a repository of standardized quantum chemistry basis sets and effective core potentials.

   CAS
      Complete Active Space.

   CASCI
      Complete Active Space Configuration Interaction.

   CASSCF
      Complete Active Space Self-Consistent Field.

   CCSD
      Coupled Cluster with Single and Double excitations.

   CCSD(T)
      Coupled Cluster with Single and Double excitations and perturbative Triple excitations.

   CI
      Configuration Interaction.

   CNOT
      Controlled-NOT two-qubit gate used in quantum circuits.

   DFT
      Density Functional Theory.

   DIIS
      Direct Inversion in the Iterative Subspace.

   ECP
      Effective Core Potential, a pseudopotential that replaces core electrons to simplify calculations.

   ERI
      Electron Repulsion Integral.

   FCIDUMP
      Text format for storing one- and two-electron integrals (FCIDUMP standard).

   FCI
      Full Configuration Interaction.

   GDM
      Geometric Direct Minimization.

   GGA
      Generalized Gradient Approximation.

   HF
      Hartree-Fock.

   HOMO
      Highest Occupied Molecular Orbital.

   LDA
      Local Density Approximation.

   LUMO
      Lowest Unoccupied Molecular Orbital.

   MACIS
      Many-body Adaptive Configuration Interaction Solver.
      See :cite:`Williams-Young2023` for more details.

   MC
      Multi-Configuration.

   MCSCF
      Multi-Configuration Self-Consistent Field.

   MO
      Molecular Orbital.

   MP2
      Second-order Møller-Plesset perturbation theory.

   QDK
      Quantum Development Kit.

   QPE
      Quantum Phase Estimation.

   RDM
      Reduced Density Matrix; one- or two-particle reduced density matrices used for many-body properties.

   RHF
      Restricted Hartree-Fock.

   RKS
      Restricted Kohn-Sham.

   ROHF
      Restricted Open-shell Hartree-Fock.

   ROKS
      Restricted Open-shell Kohn-Sham.

   SCF
      Self-Consistent Field.

   SCI
      Selected Configuration Interaction.

   STO
      Slater-type orbital minimal basis family (e.g., STO-3G minimal basis sets).

   UHF
      Unrestricted Hartree-Fock.

   UKS
      Unrestricted Kohn-Sham.

   VQE
      Variational Quantum Eigensolver.

   VVHV
      Valence Virtual Hard Virtual.