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.
TmoleX Client, Windows64
TmoleX Client, Linux64
TmoleX Client, Mac
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.
TmoleX and TURBOMOLE® DEMO version for Linux (64bit)
TmoleX and TURBOMOLE® DEMO version for Windows (64bit)
TmoleX and TURBOMOLE® DEMO version for MacOS (64bit)
Excited states from time-dependent density functional theory by P. Elliott, K. Burke, and F. Furche.
http://arxiv.org/abs/cond-mat/0703590
Which Density Functional should I choose? By D. Rappoport, N. R. M. Crawford, F. Furche, K. Burke.
http://www.chem.uci.edu/~kieron/dft/pubs/RCFB08.pdf
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.
http://www.chem.helsinki.fi/~sundholm/winterschool/lecture_notes_2003/FW_lecture.pdf
Beyond Hartree-Fock: MP2 and Coupled Cluster Methods for Large Systems, page 245-275. By Christof Hättig.
https://juser.fz-juelich.de/record/51139/files/NIC-Band-31.pdf
On the calculation of excited state difference densities slides by Mikael Johansson.
https://extras.csc.fi/chem/courses/tm-2010/CSC_course_140110.pdf
Introduction to TURBOMOLE by Sergio Boixo.
http://www.isi.edu/sites/default/files/users/serboixo/lecture12.pdf
Absorbtion and emission spectra of formaldehyde with TmoleX Nino Runeberg.
https://events.prace-ri.eu/event/786/attachments/840/1260/QC_Intermediate_hands-on.pdf
Hands-on sessions about DFT by Alexej Bagrets.
http://www.tkm.kit.edu/downloads/hands-on-session.1.pdf
http://www.tkm.kit.edu/downloads/hands-on-session.2.pdf
http://www.tkm.kit.edu/downloads/hands-on-session.3.pdf
http://www.tkm.kit.edu/downloads/hands-on-session.4.pdf