Electronic structure methods for complex materials
Ching, Wai-Yim.
Electronic structure methods for complex materials the orthogonalized linear combination of atomic orbitals / [electronic resource] : Wai-Yim Ching and Paul Rulis. - Oxford : Oxford University Press, 2012. - 1 online resource (xiii, 310 p.) : ill.
Includes bibliographical references and index.
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.
9780191740992 (ebook) : No price
Atomic orbitals.
Electronic structure.
Density functionals.
QC173.4.A87 / C4 2012
539.14
Electronic structure methods for complex materials the orthogonalized linear combination of atomic orbitals / [electronic resource] : Wai-Yim Ching and Paul Rulis. - Oxford : Oxford University Press, 2012. - 1 online resource (xiii, 310 p.) : ill.
Includes bibliographical references and index.
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.
9780191740992 (ebook) : No price
Atomic orbitals.
Electronic structure.
Density functionals.
QC173.4.A87 / C4 2012
539.14