Electron Correlations and Materials Properties

ISBN-13: 9781461371366 / Angielski / Miękka / 2013 / 556 str.

A. Gonis; Nicholis Kioussis; Mikael Ciftan

Opis

This volume, the proceedings of a 1998 international workshop, provides experimental evidence of the effects of correlation on the physical, chemical, and mechanical properties of materials, as well as the theoretical/computational methodology that has been developed for their study.

Spis treści

Preface. Opening remarks; W. Kohn. Part 1: Experimental indications of correlation effects in materials. Experimental studies of electron correlation effects in solids; G.A. Sawatzky. Photoemission in strongly correlated crystalline f-electron systems: a need for a new approach; A.J. Arko, et al. Heavy electron phenomena; H.R. Ott. Lattice effects in the light actinides; A.C. Lawson, et al. Anomalous magnetic and related electronic properties of uranium intermetallic compounds; V. Sechosvký, et al. The role of selected f-ions in the suppression of high-Tc superconductivity; L. Soderholm, U. Staub. An investigation of the magnetic fluctuations above and below Tc in the heavy Fermion superconductor UPd2Al3; N. Bernhoeft. Non-Fermi-liquid properties and exotic superconductivity in CeCu2Si2 and (UTh)Be13; M. Lang, et al. Onset of magnetism and non-Fermi-liquid behavior in UTX compounds; L. Havela, V. Sechovský. Non-Fermi-liquid behavior in U3-xNi3Sn4-6 single crystals; L. Shlyk, et al. Part 2: Phenomenological Studies of Correlation Effects. Introductory overview and heavy-Fermion phenomenology; P. Fulde. Magnetic and thermodynamic properties of the 3-d Anderson lattice Hamiltonian; C. Huscroft, et al. Narrow-band effects in rare-earths and actinides: interaction between the Kondo effect and magnetism; B. Coqblin, et al. Consequences of having two kinds of f-electrons for strongly correlated electron systems as treated by a synthesis of many-body theory and electronic structure; B.R. Cooper, Yeong-Lieh Lin. Effect of disorder in the periodic Anderson model; Feng Chen, N. Kioussis. Dynamical electron correlations inmetals: TB-LMTO and multiband Hubbard Hamiltonian; V. Drchal, et al. Part 3: Ab initio studies of correlation effects. Exchange and correlation in atoms, molecules, and solids: The density functional picture; J.P. Perdew. On time-independent density-functional theories for excited states; M. Levy. Quasiparticle and optical excitations in solids and clusters; M. Rohlfing, S.G. Louie. Ab initio studies of electronic excitations in real solids; A.G. Eguiluz, Wei Ku. Pair densities, particle number fluctuations, and a generalized density functional theory; P. Ziesche. The two-particle picture and electronic structure calculations; A. Gonis, et al. Orbital functionals in static and time-dependent density functional theory; E.K.U. Gross, et al. Understanding electronic wave functions; D.M. Ceperley. Density functional theory for the study of single-molecule electronic systems; J.M. Seminario, J. Tour. Density functional theory for a single excited state; Á. Nagy. Construction of an accurate self-interaction-corrected correlation energy functional based on an electron gas with a gap; J.B. Krieger, et al. Towards new approximations for the exchange-correlation functional using many-body perturbation theory; S. Kurth. Electronic structure and magnetism of itinerant 5f ferromagnets URhSI and URhGe; M. Diviš, et al. Pressure-induced phase transitions in alkali halides: HF and DFT study; T. Sušnik, A. Zupan. A Quantum Monte Carlo study of the exchange-correlation hole in silicon atom and system-averaged correlation holes of second row atoms; A.C. Cancio, et al. Strongly correlated electrons: Dynamical vertex renormalization; V. Janiš. Correlation effects on stability in Pu metal and its alloys