Evarestov, Robert A. <br/><br/>
Quantum chemistry of solids: LCAO treatment of crystals and nanostructures/ 
Robert A. Evarestov 
 - 2nd ed. 
 - New York:  Springer,  2012. 
 - xviii, 734 p. :  ill. ;  25 cm. 
 - Springer series in solid-state sciences, 153. .
<br/><br/>Theory --<br/>Introduction --<br/>Space Groups and Crystalline Structures --<br/>Symmetry and Localization of Crystalline Orbitals --<br/>Hartree-Fock LCAO Method for Periodic Systems --<br/>Electron Correlations in Molecules and Crystals --<br/>Semiempirical LCAO Methods for Molecules and Periodic Systems --<br/>Kohn-Sham LCAO Method for Periodic Systems --<br/>Applications --<br/>Basis Sets and Pseudopotentials in Periodic LCAO Calculations --<br/>LCAO Calculations of Perfect-Crystal Properties --<br/>Modeling and LCAO Calculations of Point Defects in Crystals --<br/>Surface Modeling in LCAO Calculations of Metal Oxides --<br/>LCAO Calculations on Uranium Nitrides --<br/>Symmetry and Modeling of BN, TiO₂, and SrTiO₃ Nanotubes. 
<br/><br/><label>ISBN: </label>9783642303555 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Quantum chemistry<br/>Solids<br/>Molecular orbitals<br/>Quantum chemistry--Mathematics<br/>Atomic orbitals<br/>Physical organic chemistry
<br/><br/><label>Dewey Class. No.: </label>541.28  / EVA/Q