Gaussian (software)

For other uses, see Gaussian.
Gaussian
Original author(s)John Pople
Developer(s)Carnegie Mellon University
Gaussian, Inc.
Initial release1970; 54 years ago (1970)
Stable release
Gaussian 16 / 2017; 7 years ago (2017)
LicenseProprietary
Websitewww.gaussian.com

Gaussian /ˈɡaʊsiən/ 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.

  1. ^ "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.
  2. ^ "John Pople and Gaussian".
  3. ^ 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)
  4. ^ Young, David (2001). "Appendix A. A.2.4 Gaussian". Computational Chemistry. Wiley-Interscience. p. 336.
  5. ^ "Gaussian Citation".