Electronic structure methods for complex materials [electronic resource] : the orthogonalized linear combination of atomic orbitals / Wai-Yim Ching and Paul Rulis.

By:

Ching, Wai-Yim

Contributor(s):

Rulis, Paul Michael, 1976-

Material type: Text

TextPublication details: Oxford : Oxford University Press, 2012.Description: 1 online resource (xiii, 310 p.) : illISBN:

9780191740992 (ebook) :

Subject(s):

Additional physical formats: Print version: No titleDDC classification:

539.14 23

LOC classification:

QC173.4.A87 C4 2012

Online resources:

Oxford scholarship online

Summary: 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.

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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.

Description based on online resource; title from PDF title page (viewed on Aug. 24, 2012).

Includes bibliographical references and index.

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