Gaussian softwareFrom Wikipedia, the free encyclopedia For other uses, see Gaussian... Major release history [ edit ] Gaussian70, Gaussian76, Gaussian77, Gaussian78, Gaussian80, Gaussian
Trang 1Gaussian (software)
From Wikipedia, the free encyclopedia
For other uses, see Gaussian
Gaussian / ˈ ɡ aʊ s ɪ ə n / is a computer program for computational chemistry initially released in 1970 by John
Gaussian quickly became a popular and widely used electronic structure program Prof Pople and his students and post-docs were among those who pushed the development of the package, including cutting-edge
Contents
[hide]
• 1 Standard capabilities
• 2 Major release history
• 3 License controversy
• 4 See also
• 5 References
• 6 External links
Standard capabilities [ edit ]
Trang 2• Built-in DFT methods.
high-accuracy methods
Major release history [ edit ]
Gaussian70, Gaussian76, Gaussian77, Gaussian78, Gaussian80, Gaussian82, Gaussian83, Gaussian85, Gaussian86, Gaussian88, Gaussian90, Gaussian 92, Gaussian93, Gaussian 94, Gaussian95, Gaussian96, Gaussian 98, Gaussian 03, Gaussian 09
Gaussian80 was the first version published on Quantum Chemical Program Exchange (QCPE) to run on IBM
Netherlands
License controversy [ edit ]
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
it claims are not permitted to use GAUSSIAN software These assertions were repeated by Jim Giles in 2004
in Nature.[13] The controversy was also noted in 1999 by Chemical and Engineering News[14] [15] (repeated