Electronic structure methods for complex materials [electronic resource] : the orthogonalized linear combination of atomic orbitals / Wai-Yim Ching and Paul Rulis. Ching, Wai-Yim. Rulis, Paul Michael, 1976- Atomic orbitals. Electronic structure. Density functionals. QC173.4.A87 C4 2012 539.14 23 Includes bibliographical references and index. Description based on online resource; title from PDF title page (viewed on Aug. 24, 2012). This title details the application of the OLCAO method for calculating the properties of solids from fundamental principles to a wide array of material systems. The method specialises in large and complex models and is able to compute a variety of useful properties including electronic, optical, and spectroscopic properties. Oxford : Oxford University Press, 2012. 2012. 2012 Text 1 online resource (xiii, 310 p.) : http://dx.doi.org/10.1093/acprof:oso/9780199575800.001.0001 eng