#Gaussian software download series#
#Gaussian software download download#
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File Size: Windows Version 618 MB + 644 MB + Linux Version 4.linux Version: Gaussian 16 Revision C.01 AVX Linux ењ†4.Windows Version: Gaussian 16 Revision B.01 x86 + Gaussian 16 Revision A.03 ењ†4.Generalized internal coordinates: define arbitrary redundant internal coordinates and coordinate expressions for use as geometry optimization constraints.Tools for interfacing Gaussian with external programs in compiled languages such as Fortran and C and/or in interpreted languages such as Python and Perl.An expanded set of Link 0 commands and corresponding Default.Route file directives.Automatically recalculate the force constants every nth step of a geometry optimization.CASSCF improvements and support for active spaces of up to 16 orbitals.Note: The link for the paper describing the algorithms used in the paper is wrong this is the correct link. gp-mc-1: Gaussian processes for regression, fully Bayesian approach, by Carl Rasmussen. Tpros: Gaussian Processes Papers and Software, by Mark Gibbs. Speedups for key parts of several calculation types. Includes neural networks, Gaussian processes, and other models.Enhanced parallel performance on larger numbers of processors.Support for NVIDIA K40 and K80 GPUs on Linux systems, for HF and DFT calculations.The PM7 semi-empirical method, both in the original formulation, and with modifications for continuous potential energy surfaces.Empirical dispersion for a variety of functionals, using the schemes of Grimme (GD2, GD3, GD3BJ) and others.Additional double-hybrid methods: DSDPBEP86, PBE0DH, PBEQIDH.Many DFT functionals have been added to Gaussian since the initial release of G09, including APFD, functionals from the Truhlar group (most recently MN15 and MN15L ) and PW6B95 & PW6B95D3.EOM-CCSD solvation interaction models of Caricato.CiofiniвЂ™s excited state charge transfer diagnostic (DCT).Computation of electronic energy transfer (EET).Modeling of resonance Raman spectroscopy.Chiral spectroscopies: electronic circular dichroism (ECD) and circularly polarized luminiscence (CPL).Vibronic spectra prediction [Barone09, Bloino10, Baiardi13.Anharmonic analysis for calculating IR, Raman, VCD and ROA spectra Calculations in solution take the interaction between the excitation and the solvent field fully into account.Geometry optimizations with the high accuracy EOM-CCSD method (analytic gradients).Analytic frequency calculations for the time-dependent (TD) Hartree-Fock and DFT methods, including ONIOM electronic embedding fully coupled with the environment of the MM region, without additional approximations.Details about many of them are given elsewhere in this brochure. Gaussian 16 brings a variety of new methods, property predictions and performance enhancements. Starting from the fundamental laws of quantum mechanics.

#Gaussian software download series#

Gaussian 16w is the latest version of the GaussianВ® series of electronic structure programs, used by chemists, chemical engineers, biochemists, physicists and other scientists worldwide.

#Gaussian software download download#

Download Gaussian 16 C.01 AVX Linux ењ†4 + Gaussian 16W Rev A.03 Windows ењ†4 bit.