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TeraChem User Manual

Overview

Initializing search

User Guide
Introduction
File Formats
Input File Parameters
SCF
Coupled Cluster
Density Functional Theory
CASSCF
Optimization
AIMD
Polaritons
Properties

TeraChem User Manual

User Guide
User Guide
- UserGuide
Introduction
Introduction
- Overview
- Obtaining TeraChem
- Citing TeraChem
- Acknowledgments
- Getting Started
  Getting Started
- Licensing
  Licensing
File Formats
File Formats
Input File Parameters
Input File Parameters
SCF
SCF
- Overview
Coupled Cluster
Coupled Cluster
- Overview
- CCSD
- THC-CCSD
- EOM-CCSD
Density Functional Theory
Density Functional Theory
- Overview
- Libxc
- Default
CASSCF
CASSCF
- Overview
Optimization
Optimization
- Overview
- DL-Find
- Geometric
- CIOpt
- Geometric Python
AIMD
AIMD
- Overview
Polaritons
Polaritons
- Overview
Properties
Properties
- Overview
- RESP
- VDD
- Diffraction Signals

Polariton

TeraChem can compute energies and properties for a molecule in a cavity.

Different Hamiltonians described

Parameters

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