GAMESS software free download is an ab initio quantum chemistry software and general ttomic and molecular electronic structure system is computer software for computational chemistry program. GAMESS software performs specialized calculations of chemistry in the field of quantum and IR and Raman frequencies as well as the optimal structure for performing the reaction.
Key features of GAMESS software:
- Calculation of evoked states using CI, EOM and TD-DFT methods
- Calculation of wave function and electron correlation using CI, MP2, CC and DFT methods
- Calculate the optimal structure, transition mode and reaction path
- Solvent simulation using continuous and discrete models
- Calculation of relativistic effects
- Ability to perform calculations on very large systems using the Fragment Molecular Orbital method
- Calculation of nuclear wave function using VSCF and NEO methods
- Calculation of IR and RAMAN vibration frequencies
