TY  - BOOK
AU  - Trindle,Carl
AU  - Shillady,Donald
TI  - Electronic structure modeling: connections between theory and software 
SN  - 0849384060 (alk. paper)
PY  - 2008///
CY  - Boca Raton, FL
PB  - CRC Press
KW  - Electronic structure
KW  - Mathematical models
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: coupled cluster calculations, extrapolation to chemical accuracy, and quantum Monte Carlo 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
ER  -