- Windows
- Education
- Science Tools
- GAMESS for Microsoft Windows 32-Bit
GAMESS for Microsoft Windows 32-Bit
Description
GAMESS for Microsoft Windows 32-Bit, developed by Iowa State University, is an advanced program in its latest version, 1.0. This software falls under the Education category, particularly within the Science Tools subcategory. It is designed to run on various operating systems like Windows XP, Vista, 7, 8, 10, and 11.
As a General Atomic and Molecular Electronic Structure System, GAMESS shines in the realm of molecular quantum chemistry. The program excels at computing SCF wavefunctions, including RHF, ROHF, UHF, GVB, and MCSCF. Additionally, it offers capabilities for Configuration Interaction, second-order perturbation Theory, and Coupled-Cluster approaches, alongside the Density Functional Theory approximation.
GAMESS also supports nuclear gradients enabling automatic geometry optimization, transition state searches, and reaction path following. The computation of energy hessians allows for predicting vibrational frequencies with IR or Raman intensities. For modeling solvent effects, it provides both the discrete Effective Fragment potentials and continuum models like the Polarizable Continuum Model. The software is highly versatile, offering numerous relativistic computations, including third-order Douglas-Kroll scalar corrections and various spin-orbit coupling options.
Moreover, users dealing with large systems will find the Fragment Molecular Orbital method highly useful, as it divides complex computations into manageable fragments. GAMESS also handles nuclear wavefunctions through VSCF or via the explicit treatment of nuclear orbitals by using the NEO code. More
You may want to check out more software, such as Microsoft Windows SDK for Windows, Microsoft Windows CE Emulator or MailEnable Messaging Services for Microsoft Windows, which might be similar to GAMESS for Microsoft Windows 32-Bit.
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