Dirac (software)
Developer(s) | T. Saue, L. Visscher, H. Jensen, R. Bast, A. Gomes |
---|---|
Stable release | DIRAC22
|
LGPL 2.1 only | |
Website | www |
Dirac (named after
Hartree–Fock, MP2, density functional theory, configuration interaction and coupled cluster electronic structure theories. Dirac is one of the most successful general-purpose quantum chemistry packages that provides accurate description of relativistic effects in molecules, using the Dirac equation as its starting point.[1]
The program is available in source code form, at no cost, to the academic community.
The most recent version, DIRAC22, was released on February 8, 2022.
See also
- Quantum chemistry software
References
- S2CID 121526765.
External links