LEADER 02685nam 2200613Ia 450 001 9910144254503321 005 20170810191515.0 010 $a1-282-34722-5 010 $a9786612347221 010 $a0-470-14293-6 010 $a0-470-14337-1 035 $a(CKB)1000000000376781 035 $a(EBL)456121 035 $a(OCoLC)609844791 035 $a(SSID)ssj0000353718 035 $a(PQKBManifestationID)11275838 035 $a(PQKBTitleCode)TC0000353718 035 $a(PQKBWorkID)10302035 035 $a(PQKB)10958246 035 $a(MiAaPQ)EBC456121 035 $a(EXLCZ)991000000000376781 100 $a19860407d1987 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aAb initio methods in quantum chemistry$hPart I$b[electronic resource] /$fedited by K.P Lawley 210 $aChichester [West Sussex] ;$aNew York $cWiley$dc1987 215 $a1 online resource (568 p.) 225 1 $aAdvances in chemical physics ;$v67 300 $aDescription based upon print version of record. 311 $a0-471-90900-9 320 $aIncludes bibliographies and indexes. 327 $aAB 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 INDEX 330 $aThe Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. 410 0$aAdvances in chemical physics ;$v67. 606 $aQuantum chemistry 606 $aQuantum theory 608 $aElectronic books. 615 0$aQuantum chemistry. 615 0$aQuantum theory. 676 $a541.2/8 676 $a541.28 676 $a541.305 676 $a541/.08 701 $aLawley$b K. P$0878056 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910144254503321 996 $aAb initio methods in quantum chemistry$92069204 997 $aUNINA