LEADER 03889nam 22007095 450 001 9910254030203321 005 20220413170312.0 010 $a3-662-49825-1 024 7 $a10.1007/978-3-662-49825-5 035 $a(CKB)3710000000653177 035 $a(EBL)4515787 035 $a(SSID)ssj0001665726 035 $a(PQKBManifestationID)16455258 035 $a(PQKBTitleCode)TC0001665726 035 $a(PQKBWorkID)15000807 035 $a(PQKB)10815056 035 $a(DE-He213)978-3-662-49825-5 035 $a(MiAaPQ)EBC4515787 035 $a(PPN)193442000 035 $a(EXLCZ)993710000000653177 100 $a20160427d2016 u| 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aPéter R. Surján $ea Festschrift from theoretical chemistry accounts /$fedited by Ágnes Szabados, Mihály Kállay, Péter G. Szalay 205 $a1st ed. 2016. 210 1$aBerlin, Heidelberg :$cSpringer Berlin Heidelberg :$cImprint: Springer,$d2016. 215 $a1 online resource (259 p.) 225 1 $aHighlights in Theoretical Chemistry,$x2194-8666 ;$v12 300 $aDescription based upon print version of record. 311 $a3-662-49824-3 320 $aIncludes bibliographical references at the end of each chapters. 327 $aFrom the content: Preface -- Local random phase approximation with projected oscillator orbitals -- Orthogonality-constrained Hartree?Fock and perturbation theory for high-spin open-shell excited states -- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree?Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation. 330 $aIn this Festschrift dedicated to the 60th birthday of Péter R. Surján, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal. 410 0$aHighlights in Theoretical Chemistry,$x2194-8666 ;$v12 606 $aChemistry, Physical and theoretical 606 $aAtomic structure 606 $aMolecular structure 606 $aChemistry, Physical and theoretical 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aAtomic/Molecular Structure and Spectra$3https://scigraph.springernature.com/ontologies/product-market-codes/P24017 606 $aPhysical Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C21001 615 0$aChemistry, Physical and theoretical. 615 0$aAtomic structure. 615 0$aMolecular structure. 615 0$aChemistry, Physical and theoretical. 615 14$aTheoretical and Computational Chemistry. 615 24$aAtomic/Molecular Structure and Spectra. 615 24$aPhysical Chemistry. 676 $a541 702 $aSzabados$b Ágnes$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aKállay$b Mihály$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aSzalay$b Péter G$4edt$4http://id.loc.gov/vocabulary/relators/edt 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910254030203321 996 $aPéter R. Surján$92535076 997 $aUNINA