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TURBOMOLE

  • Openness:0 ☆☆☆
  • Document quality:2 ★★☆

Payware 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.

Information
Last Update:2021/03/05

Official site

http://www.turbomole.com/

License

TURBOMOLE License : http://www.turbomole-gmbh.com/how-to-buy.html Contact: http://www.cosmologic.de/contact/how-to-order.html Email : contact@turbomole-gmph.com : http://www.turbomole-gmbh.com/contatus.html
Availability Need to compile on Unix.
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