Ab initio Quantum Chemical Calculations with GAMESS-UK and GAUSSIAN90 Program Packeges - A Comparison -.
Please always quote using this URN: urn:nbn:de:0297-zib-4867
- Two commercially available molecular electronic structure software packages GAUSSIAN90 and GAMESS-UK are compared. Basis for this comparison is a benchmark suite which is designed to highlight the typical range of calculations commonly performed by the ab initio computational chemist.
| Author: | Klaus Schöffel |
|---|---|
| Document Type: | ZIB-Report |
| Date of first Publication: | 1992/01/24 |
| Series (Serial Number): | ZIB-Report (TR-92-01) |
| ZIB-Reportnumber: | TR-92-01 |
