02651nam 2200601Ia 450 991083036930332120230331005353.01-282-34722-597866123472210-470-14293-60-470-14337-1(CKB)1000000000376781(EBL)456121(OCoLC)609844791(SSID)ssj0000353718(PQKBManifestationID)11275838(PQKBTitleCode)TC0000353718(PQKBWorkID)10302035(PQKB)10958246(MiAaPQ)EBC456121(EXLCZ)99100000000037678119860407d1987 uy 0engur|n|---|||||txtccrAb initio methods in quantum chemistryPart I[electronic resource] /edited by K.P LawleyChichester [West Sussex] ;New York Wileyc19871 online resource (568 p.)Advances in chemical physics ;67Description based upon print version of record.0-471-90900-9 Includes bibliographies and indexes.AB INITIO METHODS IN QUANTUM CHEMISTRY-Part I; CONTENTS; EXCITED-STATE POTENTIALS; MOLECULAR PROPERTY DERIVATIVES; TRANSITION STRUCTURE COMPUTATIONS AND THEIR ANALYSIS; OPTIMIZATION OF EQUILIBRIUM GEOMETRIES AND TRANSITION STRUCTURES; RELATIVISTIC QUANTUM CHEMISTRY; EFFECTIVE HAMILTONIANS AND PSEUDO-OPERATORS AS TOOLS FOR RIGOROUS MODELLING; MOLECULAR CALCULATIONS WITH THE DENSITY FUNCTIONAL FORMALISM; BASIS SETS; THE COUPLED PAIR .APPROXIMATION; AUTHOR INDEX; SUBJECT INDEXThe Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.Advances in chemical physics ;67.Quantum chemistryQuantum theoryQuantum chemistry.Quantum theory.541.2/8541.28541.305541/.08Lawley K. P878056MiAaPQMiAaPQMiAaPQBOOK9910830369303321Ab initio methods in quantum chemistry4029773UNINA