now 332 Apps
Inquiry / Application RequestPayware for the ab-initio quantum chemical calculation. This application preforms high-speed electronic structure calculation by introducing the RI approximation, and evaluates not only ground states but also excited states by various methods such as full RPA, TDDFT, CIS(D), CC2, ADC(2). It can also be used for evaluation of spectra data of infrared(IR), visible(Vis)/ultraviolet(UV), Raman, and circular dichroism spectroscopy.
TURBOMOLE License : https://store.turbomole.org/ (Select software and click “View TURBOMOLE License Agreement” at the bottom of the page.)
Contact: https://www.turbomole.org/company/contact/
| Availability | Need to compile on Unix. |
|---|---|
| Related keywords |