TURBOMOLE® - Fast and robust quantum chemistry
The graphical user interface TmoleX allows importing or building molecules, prepares and administrates TURBOMOLE jobs, submits them to remote Linux machines or clusters with or without queuing systems, visualizes and analyzes job results. The TmoleX Client version does that without including a complete TURBOMOLE installation, but serves as a full workspace to set up, submit, adminstrate and visualize jobs.
TURBOMOLE - Demo version for Linux, Windows and MacOS
Download and test the full TmoleX version, including TURBOMOLE, on your own system. The number of atoms that can be used for calculations is limited in the DEMO version, but all methods and properties are available. The parallel TURBOMOLE version is included and ready to be tested.
Excited states from time-dependent density functional theory by P. Elliott, K. Burke, and F. Furche.
Which Density Functional should I choose? By D. Rappoport, N. R. M. Crawford, F. Furche, K. Burke.
TDDFT in Chemistry and Biochemistry by Dmitrij Rappoport
Part 1: http://www.tddft.org/TDDFT2010/school/rappoport3.pdf
Part 2: http://www.tddft.org/TDDFT2010/school/rappoport4.pdf
Developing and Applying TURBOMOLE® by Florian Weigend.
Beyond Hartree-Fock: MP2 and Coupled Cluster Methods for Large Systems, page 245-275. By Christof Hättig.
On the calculation of excited state difference densities slides by Mikael Johansson.
Introduction to TURBOMOLE by Sergio Boixo.
Absorbtion and emission spectra of formaldehyde with TmoleX Nino Runeberg.
Hands-on sessions about DFT by Alexej Bagrets.