```{only} html
<span data-index="remove-from-meili" hidden></span>
```

# Glossary

**A**
```{glossary}
:sorted:

ADEX
 Atomic Decomposition of Exchange

ADFT
 Analytic Density Functional Theory

ADLD
 Atomic Decomposition of London Dispersion

ALPB
 Analytical Linearized Poisson-Boltzmann
```

**B**
```{glossary}
:sorted:

BB
 Boys-Bernardi

BUPO
 Bubblepoles

BSSE
 Basis Set Superposition Error
```

**C**
```{glossary}
:sorted:

CC
 Coupled-Cluster

CCSD
 Coupled-Cluster with Singles and Doubles

CCSD(T)
 Coupled-Cluster with Singles, Doubles and Perturbative Triples

CI
 Configuration Interaction

CNDO
 Complete Neglect of Differential Overlap

CPCM
 Conductor-like Continuum Polarization Model

CP-SCF
 Coupled Perturbed Self Consisten Field

cc-pVXZ
 Dunning's Corrleation Consistent Polarized Valence Basis Set Family of x-tuple Zeta Quality

CSF
 Configuration State Function
```

**D**
```{glossary}
:sorted:

DFT
 Density Functional Theory

DIIS
 Direct Inversion in Iterative Subspace

DLPNO
 Domain-Based Local Pair Natural Orbital

DMRG
 Density Matrix Renormalization Group
```

**E**
```{glossary}
:sorted:

ECP
 Effective Core Potential

EPR
 Electron Paramagnetic Resonance
```

**F**
```{glossary}
:sorted:

FCI
 Full Configuration Interaction

FB
 Foster Boys Orbital Localization
```

**G**
```{glossary}
:sorted:

gCP
 Geometrical Counterpoise

GGA
 Generalized Gradient Approximation

GVPT2
 Generalized Vibrational Perturbation Theory of Second Order

GS-ROCIS
 General-spin Restricted Open-Shell Configuration Interaction Singles
```

**H**
```{glossary}
:sorted:

HF
 Hartree-Fock

HOMO
 Highest Occupied Molecular Orbital
```

**I**
```{glossary}
:sorted:

INDO
 Intermediate Neglect of Differential Overlap

ICE
 Iterative Configuration Expansion
```

**K**
```{glossary}
:sorted:

KDIIS
 Kolmar’s DIIS
```

**L**
```{glossary}
:sorted:

LED
 Local Energy Decomposition

LMO
 Localized Molecular Orbital

LUMO
 Lowest Unoccupied Molecular Orbital
```

**M**
```{glossary}
:sorted:

MO
 Molecular Orbital

MNDO
 Modified Neglect of Diatomic Overlap

MP2
 M\oller-Plesset Perturbation Theory of Second Order
```

**N**
```{glossary}
:sorted:

NBO
 Natural Bond Orbitals 

NCS
 Natural Chemical Shielding Analysis

NMR
 Nuclear Magnetic Resonance

NDO
 Neglect of Differential Overlap

NDDO
 Neglect of Diatomic Differential Overlap
```

**O**
```{glossary}
:sorted:

OPI
 ORCA Python Interface

OO
 Orbital-optimized
```

**P**
```{glossary}
:sorted:

PCM
 Polarizable Continuum Model

PP
 Pseudopotential

PM
 Pipek Mezey Orbital Localization

PNO
 Pair Natural Orbital
```

**Q**
```{glossary}
:sorted:

QRO
 Quasi-restricted Orbitals
```

**R**
```{glossary}
:sorted:

RHF
 Restricted Hartree Fock

ROHF
 Restricted Open-Shell Hartree Fock

ROCIS
 Restricted Open-Shell Configuration Interaction Singles

RPA
 Random Phase Approximation

RI
 Resolution of the Identity

RIXS
 Resonant Inelastic X-ray Scattering
```

**S**
```{glossary}
:sorted:

SCF
 Self-consistent Field

SOC
 Spin-orbit Coupling

SSC
 Spin-spin Coupling
```

**T**
```{glossary}
:sorted:

TDA
 Tamm-Dancoff Approximation

TRAH
 Trust-Region Augmented Hessian
```

**U**
```{glossary}
:sorted:

UHF
 Unrestricted Hartree-Fock

UKS
 Unrestricted Kohn-Sham

UCO
 Unrestricted Corresponding Orbital

UNO
 Unrestricted Natural Orbital
```

**V**
```{glossary}
:sorted:

VCD
 Vibrational Circular Dichroism

VPT2
 Second-order Vibrational Perturbation Theory
 ```

**W**
```{glossary}
:sorted:

WFT
 Wave Function Theory

WBO
 Wiberg Bond Order
```

**X**
```{glossary}
:sorted:

XAS
 X-ray Absorption Spectroscopy

XES
 X-ray Emission Spectroscopy

XPS
 X-ray Photoelectron Spectroscopy

XMCD
 X-ray Magnetic Circular Dichroism

X2C
 Exact Two-Component 
```

**Z**
```{glossary}
:sorted:

ZORA
 Zeroth-Order Regular Approximation

ZPE
 Zero-Point Energy
```