TY - BOOK AU - Roos,Bj©œrn O. AU - Lindh,Roland AU - Malmqvist,Per ©"ke AU - Veryazov,Valera AU - Widmark,Per-Olof TI - Multiconfigurational quantum chemistry SN - 9780470633465 (cloth) PY - 2016/// CY - Hoboken, New Jersey PB - Wiley KW - Quantum chemistry KW - Textbooks N1 - Includes bibliographical references and index; Mathematical background -- Molecular orbital theory -- Hartree-Fock theory -- Relativistic effects -- Basis sets -- Second quantization and multiconfigurational wave functions -- Electron correlation -- Multiconfigurational SCF theory -- The RAS State-Interaction method -- The multireference CI method -- Multi-configurational reference perturbation theory -- CASPT2/CASSCF applications ER -