Skip to content

TeraChem User Manual

Copyright

Initializing search

TeraChem User Manual

Introduction
Introduction
- About this Manual
- Obtaining TeraChem
- Citing TeraChem
- Acknowledgments
- Getting Started
  Getting Started
- Licensing
  Licensing
- Copyright
- EULA
- Release Notes
File Formats
File Formats
Integrals
Integrals
SCF
SCF
Density Functional Theory
Density Functional Theory
- Overview
- Integration Grids
- Libxc
- Default
- hh-TDA
- DFT+U
CASSCF
CASSCF
Coupled Cluster
Coupled Cluster
- Overview
- CCSD
- THC-CCSD
- EOM-CCSD
Periodic Boundary Conditions
Periodic Boundary Conditions
- Overview
Semiempirical Methods
Semiempirical Methods
- GFN-xTB
Relativistic Effects
Relativistic Effects
- X2C (Scalar Relativistic)
- Spin-Orbit Coupling
Excited States
Excited States
Optimization
Optimization
- Overview
- DL-Find
- Geometric
- CIOpt
- Geometric Python
AIMD
AIMD
QM/MM
QM/MM
Polaritons
Polaritons
- Overview
Exciton Model
Exciton Model
- Overview
Properties
Properties
Interfaces
Interfaces
- Single Point Engine Mode (MPI)
- TCPB (Protocol Buffers)
Input File Parameters
Input File Parameters

Copyright

TeraChem software is Copyright ©2009-2012 PetaChem, LLC

c © 2023 PetaChem, LLC

Made with Material for MkDocs