Gaussian Window and Transform The Gaussian ``bell curve' is possibly the only smooth. For typical windows. Gaussian window and transform. Proprietary commercial software. The University of Cambridge has a site licence for a particular release of Gaussian 03 that covers 'staff, students, and faculty'.

Gaussian 16 / 2017; 1 year ago ( 2017) Website Gaussian is a general purpose software package initially released in 1970 by and his research group at as Gaussian 70. It has been continuously updated since then. The name originates from Pople's use of to speed up molecular electronic structure calculations as opposed to using, a choice made to improve performance on the limited computing capacities of then-current computer hardware for calculations. The current version of the program is Gaussian 16. Originally available through the Quantum Chemistry Program Exchange, it was later licensed out of, and since 1987 has been developed and licensed by Gaussian, Inc. Gaussian quickly became a popular and widely used electronic structure program. Pople and his students and post-docs were among those who pushed the development of the package, including cutting-edge research in and other fields.

Contents • • • • • • Standard abilities [ ] According to the most recent Gaussian manual, the package can do: • • • (UFF) • force field • calculations • (AM1),,,, /3, • (SCF methods) •: restricted,, and • (MP2, MP3, MP4, MP5). • Built-in (DFT) methods • B3LYP and other • Exchange functionals: PBE, MPW, PW91, Slater, X-alpha, Gill96, TPSS. • Correlation functionals: PBE, TPSS, VWN, PW91, LYP, PL, P86, B95 • ( method) up to three layers • (CAS) and calculations • calculations • (QCI) methods • – CBS-QB3, CBS-4, CBS-Q, CBS-Q/APNO, G1, G2, G3, W1 high-accuracy methods Official release history [ ] Gaussian 70, Gaussian 76, Gaussian 80, Gaussian 82, Gaussian 86, Gaussian 88, Gaussian 90, Gaussian 92, Gaussian 92/DFT, Gaussian 94, Gaussian 98, Gaussian 03, Gaussian 09 and Gaussian 16.

Other programs named 'Gaussian XX' were placed among the holdings of the Quantum Chemistry Program Exchange. These were unofficial, unverified ports of the program to other computer platforms. License controversy [ ] In the past, Gaussian, Inc. Has attracted controversy for its licensing terms that stipulate that researchers who develop competing software packages are not permitted to use the software. Some scientists consider these terms overly restrictive. The anonymous group bannedbygaussian.org has published a list of scientists whom it claims are not permitted to use GAUSSIAN software.

These assertions were repeated by Jim Giles in 2004 in. The controversy was also noted in 1999 by (repeated without additional content in 2004), and in 2000, the Scientific Board held a referendum of its executive board members on this issue with a majority (23 of 28) approving the resolution opposing the restrictive licenses. Gaussian, Inc. Disputes the accuracy of these descriptions of its policy and actions, noting that all of the listed institutions do in fact have licenses for everyone but directly competing researchers. They also claim that not licensing competitors is standard practice in the software industry and members of the Gaussian collaboration community have been refused licenses from competing institutions.

See also [ ] • References [ ].