Workshop on Correlation Effects in Electronic Structure Calculations 12 - 23 June 2000 Preliminary PROGRAMME Lectures: 12-14 June - Adriatico Small Lecture Room 15-23 June - Kastler Lecture Hall Week 1 12-16 June Monday, 12 June 08.30 - 09.30 REGISTRATION INTRODUCTION to the Workshop 09.30 - 10.00 Part 1 - A. ANISIMOV 10.00 - 10.30 Part 2 - G. KOTLIAR 10.30 - 10.45 Break 10.45 - 12.45 O.K ANDERSEN Calculation of model hamiltonian parameters from the "first principles" - I 12.45 - 15.00 Lunch 15.00 - 18.00 Training Session: Running LMTO code Tutors: S. Ezhov, I. Elfimov, M. Korotin, A. Poteryaev 18.00 GET TOGETHER Tuesday, 13 June 09.00 - 10.00 O.K ANDERSEN Calculation of model hamiltonian parameters from "first principles" - II 10.00 - 10.30 Break 10.30 - 12.30 O. GUNNARSSON Calculation of Coulomb and exchange interaction parameters 12.30 - 15.00 Lunch 15.00 - 18.00 Training Session: Computing the U matrix and J matrix of different materials by running the LMTO code Tutors: M. Korotin, A. Poteryaev, J. Medvedeva, I. Nekrasov Wednesday, 14 June 09.00 - 11.00 V. ANISIMOV Combining LDA and a model hamiltonian approach: LDA+U 11.00 - 11.30 Break 11.30 - 12.30 A. LICHTENSTEIN Calculation of intersite exchange couplings, and other applications of LDA+ U approach 12.30 - 15.00 Lunch 15.00 - 18.00 Training Session: Performing LDA+ U calculations for concrete insulating materials Tutors: I. Elfimov, M. Korotin, A. Poteryaev, S. Ezhov Thursday, 15 June 09.00 - 10.30 A. GEORGES Introductory Dynamical mean field theory (DMFT) 10.30 - 11.00 Break 11.00 - 12.30 M. ROZENBERG Solution of DMFT by Quantum Montecarlo 12.30 - 15.00 Lunch 15.00 - 16.30 Training Session in DMFT - 1 A. GEORGES Tutors: S. Lichtenstein, M. Rozenberg, V. Udovenko, I. Yang 16.30 - 18.00 Training Session in DMFT - 2 (QMC) S. LICHTENSTEIN, M. ROZENBERG Tutors: V. Udovenko, I. Yang Friday, 16 June 09:00 - 11.00 M. ROZENBERG Solving impurity models in a self consistent medium IPT method 11.00 - 11.30 Break 11.30 - 12.00 S. SAVRASOV IPT for orbitally degenerate models 12.00 - 12.30 G. KOTLIAR Some perspectives on methods for solving Dynamical Mean Field Equations and the transition from simplified Hamiltonians to realistic systems 12.30 - 15.00 Lunch 15.00 - 18.00 Training Session : DMFT (3) M. ROZENBERG, S. LICHTENSTEIN, S. SAVRASOV Tutors: V. Udovenko, I. Yang, S. Poteryaev Week 2 19 - 23 June Monday, 19 June 09:00 - 10.30 S. MASSIDDA GW method 10.30 - 11.00 Break 11.00 - 12.30 TH. PRUSHKE The NCA method 12:30 - 15.00 Lunch 15.00 - 15.20 A. GEORGES Organic Materials/Extensions of DMFT 15.20 - 18.20 Practice session: NCA practical implementation TH. PRUSHKE Tutors: I. Nekrasov, S. Poteryaev Tuesday, 20 June "D-ELECTRON SYSTEMS" 09:00 - 09.20 D. KHOMSKI Manganites: what we understand and what we don't 09.20 - 09.40 I. SOLOVYEV Co-operative Jahn-Teller distortion, A-type anti ferromagnetism and the insulating behavior of LaMnO3: how the LSDA based band picture works (and how it does not work) 09.40 - 10.00 D. VOLLHARDT Realistic modeling of strongly correlated materials using LDA+DMFT (QMC): Photoemission spectra of La_{1-x}Sr_{x}TiO3 10.00 - 10.30 Break 10.30 - 10.50 A. LICHTENSTEIN Cluster DMFT 10.50 - 11.10 W. NOLTING Quasiparticles in ferromagnetic metals 11.10 - 12.10 S. MASSIDDA Hartree-Fock and model GW calculations 12:10 - 15.00 Lunch 15.00 - 17.00 Hartree-Fock and model GW calculations: practical implementation S. MASSIDDA Wednesday, 21 June "F-ELECTRON SYSTEMS" 09:00 - 09.20 O. ERIKSSON Correlation effects on the electronic structure of the actinides 09.20 - 09.40 S. SAVRASOV Understanding phase diagram of plutonium with DMFT 09.40 - 10.00 D. COX Strong correlations in biological and biomimetic molecules 10.00 - 10.30 Break 10.30 - 10.50 F. ANDERS Band magnetism in the two channel Anderson lattice model 10.50 - 11.10 W. TEMMERMAN Valencies in rare earths and actinides 12.00 - 15.00 Lunch 15.00 POSTER SESSION Thursday, 22 June "DEVELOPMENT OF MANY BODY METHODS: MANY BODY TECHNIQUES" 09:00 - 09.20 T. MAIER The dynamical cluster approximation 09.20 - 09.40 I. MAZIN Unprospected gold mines and unswept mine fields in the density functional theory 09.40 - 10.00 J. SCHMALIAN Self generated randomness in strongly correlated systems, a new approach for glassy behavior in transition metal oxides 10.00 - 10.30 Break 10.30 - 10.50 F. MANGHI On-site correlation in multiband systems 10.50 - 11.10 V. JANIS Parquet approach and pair resonant states 11.10 - 11.30 R. CHITRA Extended dynamical mean theory for systems with long range interactions 11.30 - 11.50 E. ARRIGONI Normal and anomalous properties of metals between one and higher dimensions 11.50 - 15.00 Lunch 15.00 - 18.00 H. KROHA Vertex corrections and t-Matrix NCA with practical implementation Friday, 23 June "MANY BODY AND DMFT" 09:00 - 09.20 R. BULLA The NRG for correlated electron systems: I. Dynamic properties at finite temperatures 09.20 - 09.40 T. PRUSCHKE The NRG for correlated electron systems: II. Magnetic field effects 09.40 - 10.00 K. HELD Electronic correlations in manganites 10.00 - 10.30 Break "D ELECTRON SYSTEMS" 10.30 - 10.50 M. KOROTIN Ferromagnetic insulator La_{7/8}Sr_{1/8}MnO3: orbital order and stripe hole ordering 10.50 - 11.10 S. HAAS Excitation spectra and thermodynamics of quantum spin systems 11.10 - 11.30 F. Vukajlovich A comparative study of Coulomb-correlated electronic structure of one-dimensional spin-Peierls compound alpha'-NaV205 in Pmmn and P2_1mn crystal structure 11.30 CONCLUSION V. ANISIMOV