Gaussian, Inc. is pleased to announce the availability of Gaussian 98, the latest development in the Gaussian series of programs. Gaussian 98 is available immediately for several computer platforms including Cray (PVP), Digital Alpha (Digital UNIX), HP (HP-UX), IBM RS/6000 (AIX), Silicon Graphics (IRIX), and Intel Pentium and Pentium Pro (Windows 95/98/NT and Linux). Sun Sparc & UltraSparc, Fujitsu and NEC versions of Gaussian 98 are not immediately available, but are in final testing.
Among new features in Gaussian 98 are ONIOM hybrid MO/MO and MO/MM methods, analytic 2nd derivatives with ECP basis sets, MP2 NMR chemical shifts, PCM solvation models, excited state energies via TD-DFT, and new reaction path & transition state searching methods. Performance improvements in G98 include DFT speedups especially for frequencies, symmetry for post-MP2 methods, sparse matrix methods for very large AM1 energy calculations, enhancements for geometry optimizations, improved CASSCF methods, and Fast Multipole Methods (FMM) for DFT. Extensions to the built-in basis sets cover the periodic table and add commonly-requested extended basis sets, notably the Stuttgart/Dresden ECP set.
Details of all features and other information about Gaussian 98 may be obtained by contacting us at the address, telephone numbers, or email given below. See our website.
See also russian description.