TY  - BOOK
AU  - Trindle,Carl
AU  - Shillady,Donald
TI  - Electronic structure modeling: connections between theory and software 
SN  - 9780849384073 (ebook : PDF)
PY  - 2008///
CY  - Boca Raton, Fla.
PB  - CRC Press
KW  - Electronic structure
KW  - Mathematical models
KW  - Electronic books
KW  - lcsh
N1  - Includes bibliographical references and index; One-dimensional quantum mechanics, a short review -- Matrices, representations, and electronic structure modeling -- Methods of approximation and the SCF method -- Gaussian lobe basis sets -- A very simple MO program -- Geometry optimization and vibrational frequencies by SCF -- Configuration interaction and potential curves -- Perturbation theory -- Highly accurate methods -- Modeling the Coulomb hole -- Density functional theory -- Calculation of nuclear magnetic resonance shielding/shifts -- The representation of electronically excited states -- Circular dichroism and optical rotatory dispersion; Also available in print edition; CRC Press (http://www.crcpress.com)
UR  - http://marc.crcnetbase.com/isbn/9780849384073
ER  -