TURBOMOLE
Encyclopedia
TURBOMOLE is an ab initio
computational chemistry
program that implements various quantum chemistry
algorithms. It is developed at the group of Prof. Reinhart Ahlrichs
at the University of Karlsruhe.
In 2007, the TURBOMOLE GmbH company founded by R. Ahlrichs, F. Furche, C. Hättig, W. Klopper, M. Sierka, and F. Weigend took over the responsibility for the coordination of the scientific development of TURBOMOLE program, to which the company holds all copy and intellectual property rights.
Ab initio quantum chemistry methods
Ab initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initiowas first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene.The background is described by Parr...
computational chemistry
Computational chemistry
Computational chemistry is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids...
program that implements various quantum chemistry
Quantum chemistry
Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems...
algorithms. It is developed at the group of Prof. Reinhart Ahlrichs
Reinhart Ahlrichs
Prof. Dr. Reinhart Ahlrichs is a German theoretical chemist.-Biography:Ahlrichs was born on the 16 January 1940 in Göttingen. He studied Physics at the University of Göttingen and received his PhD in 1968 with W. A. Bingel. From 1968-69 he was assistant at Göttingen with Werner Kutzelnigg and from...
at the University of Karlsruhe.
In 2007, the TURBOMOLE GmbH company founded by R. Ahlrichs, F. Furche, C. Hättig, W. Klopper, M. Sierka, and F. Weigend took over the responsibility for the coordination of the scientific development of TURBOMOLE program, to which the company holds all copy and intellectual property rights.