Ebook: ORCA Manual for ab initio, DFT and semiempirical SCF-MO package

University of Bonn, 2010. — 489 p. Version 2.8-20 September 2010
Manual for Quantum Chemistry computational package ORCA. ORCA package is free of charge and can be installed on all computation facilities.
This manual provides a description and explanation on how to set up Ab initio, HF, DFT, TD-DFT, MP2, CI, CCSD(T), semiempirical calculations, geometry optimization, etc. calculations.