GAUSSIAN


GAUSSIAN is a computational chemistry software program, first written by John Pople. [1]The name originates from Pople's use of Gaussian orbitals to speed up calculations compared to those using Slater-type orbitals. The practice improved performance on slower computer hardware and facilitated the growth of computational chemistry, particularly ab initio methods such as Hartree-Fock. Gaussian's copyright was originally held by Carnegie Mellon University, and later by Gaussian, Inc.

Gaussian quickly became a popular and widely-used electronic structure program. Prof. Pople and his research group were among those who pushed the development of the package, including cutting-edge research in quantum chemistry and other fields.

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