Gaussian (software)
| Gaussian | |
|---|---|
| Original author(s) | W. J. Hehre, W. A. Lathan, R. Ditchfield, M. D. Newton, John Pople |
| Developer(s) | Pople Research Group at Carnegie Mellon University; Gaussian, Inc. |
| Initial release | 1970 |
| Stable release | Gaussian 16
/ 2017 |
| License | Proprietary |
| Website | www |
Gaussian /ˈɡaʊs.i.ən/ is a general purpose computational chemistry software package initially released in 1970 by John Pople[1][2] and his research group at Carnegie Mellon University as Gaussian 70.[3] It has been continuously updated since then.[4] The name originates from Pople's use of Gaussian orbitals to speed up molecular electronic structure calculations as opposed to using Slater-type orbitals, a choice made to improve performance on the limited computing capacities of then-current computer hardware for Hartree–Fock calculations. The current version of the program is Gaussian 16.[5] Originally available through the Quantum Chemistry Program Exchange, it was later licensed out of Carnegie Mellon University, and since 1987 has been developed and licensed by Gaussian, Inc.
- ^ "Publisher's note: Sir John A. Pople, 1925-2004". Journal of Computational Chemistry. 25 (9): fmv–vii. 2004. doi:10.1002/jcc.20049. PMID 15116364.
- ^ "John Pople and Gaussian".
- ^ W. J. Hehre, W. A. Lathan, R. Ditchfield, M. D. Newton, and J. A. Pople, Gaussian 70 (Quantum Chemistry Program Exchange, Program No. 237, 1970)
- ^ Young, David (2001). "Appendix A. A.2.4 Gaussian". Computational Chemistry. Wiley-Interscience. p. 336.
- ^ "Gaussian Citation".