03889nam 22007095 450 991025403020332120220413170312.03-662-49825-110.1007/978-3-662-49825-5(CKB)3710000000653177(EBL)4515787(SSID)ssj0001665726(PQKBManifestationID)16455258(PQKBTitleCode)TC0001665726(PQKBWorkID)15000807(PQKB)10815056(DE-He213)978-3-662-49825-5(MiAaPQ)EBC4515787(PPN)193442000(EXLCZ)99371000000065317720160427d2016 u| 0engur|n|---|||||txtccrPéter R. Surján a Festschrift from theoretical chemistry accounts /edited by Ágnes Szabados, Mihály Kállay, Péter G. Szalay1st ed. 2016.Berlin, Heidelberg :Springer Berlin Heidelberg :Imprint: Springer,2016.1 online resource (259 p.)Highlights in Theoretical Chemistry,2194-8666 ;12Description based upon print version of record.3-662-49824-3 Includes bibliographical references at the end of each chapters.From 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.In 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.Highlights in Theoretical Chemistry,2194-8666 ;12Chemistry, Physical and theoreticalAtomic structureMolecular structureChemistry, Physical and theoreticalTheoretical and Computational Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C25007Atomic/Molecular Structure and Spectrahttps://scigraph.springernature.com/ontologies/product-market-codes/P24017Physical Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C21001Chemistry, Physical and theoretical.Atomic structure.Molecular structure.Chemistry, Physical and theoretical.Theoretical and Computational Chemistry.Atomic/Molecular Structure and Spectra.Physical Chemistry.541Szabados Ágnesedthttp://id.loc.gov/vocabulary/relators/edtKállay Mihályedthttp://id.loc.gov/vocabulary/relators/edtSzalay Péter Gedthttp://id.loc.gov/vocabulary/relators/edtMiAaPQMiAaPQMiAaPQBOOK9910254030203321Péter R. Surján2535076UNINA