MAX-PLANCK-INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME DRESDEN








International Workshop on


Computational Approach to Electronic

Correlations in Solids


Dresden


25 - 29 May, 1998







Scientific Coordinators:


Mikhail Katsnelson
Institute of Metal Physics, Ekaterinburg



Alexander Lichtenstein
Forschungszentrum Jülich













Max Planck Institute for Physics of Complex Systems
Nöthnitzer Strasse 38
D-01187 Dresden
Tel.: +49-351-871-2105; Fax: +49-351-871-2199
http://www.mpipks-dresden.mpg.de




WORKSHOP PROGRAM





SUNDAY, 24 MAY
Arrival  
19:00 Welcome (Cafeteria at the Max Planck Institute)

MONDAY, 25 MAY
08:45 - 9:00 Alexander Lichtenstein (Jülich)    
  Opening address    
09:00 - 10:00 Ole Krogh Andersen (Stuttgart)    
  Tutorial lecture:    
  Construction of single-particle Hamiltonians:    
  Applications to HTSC's    
10:00 - 10:30 COFFEE    
10:30 - 11:30 Gabriel Kotliar (New Jersey)    
  Tutorial lecture:    
  Treatment of correlations by means of    
  dynamical mean field theory    
11:30 - 12:00 Franca Manghi (Modena)    
  On-site correlation in valence and core states of    
  transition metals and cuprates    
12:00 - 12:30 Jun-ichi Igarashi (Gunma)    
  Local approach to electronic excitations in    
  transition-metal compounds    
12:30 - 14:00 LUNCH    
14:00 - 15:00 Olle Gunnarsson (Stuttgart)    
  Correlation effects in fullerenes    
15:00 - 16:00 Warren Pickett (Davis)    
  Role of ab initio calculations in 2D spin gap systems CaV4O9    
16:00 - 16:30 COFFEE    
16:30 - 17:30 Hartmut Monien (Bonn)    
  Phase diagram of strongly correlated bilayers    
18:00 SUPPER    
19:30 Posters (25-29 May)    








TUESDAY, 26 MAY
09:00 - 10:00 Walter Metzner (München )    
  Dynamical mean-field theory of correlated electrons    
10:00 - 10:30 COFFEE    
10:30 - 11:20 Dieter Vollhardt (Augsburg)    
  Metallic ferromagnetism in the one-band and the orbitally degenerate Hubbard model    
11:20 - 12:00 David Logan (Oxford)    
  Local moment approach to strongly correlated systems    
12:00 - 12:30 Thomas Pruschke (Regensburg)    
  Application of Wilson's numerical renormalisation group to correlated    
  lattice problems in the dynamical mean-field-theory    
12:30 - 14:00 LUNCH    
14:00 - 15:00 Daniel Cox (Davis)    
  Realistic calculations for heavy electron materials    
15:00 - 16:00 Mark Jarrell (Cincinnati)    
  Nonlocal dynamical correlations of strongly interacting electron systems    
16:00 - 16:30 COFFEE    
16:30 - 17:10 Gertrud Zwicknagl (Stuttgart)    
  Heavy fermions: coherence effects    
17:10 - 17:50 Florian Gebhard (Marburg)    
  On the gap problem of the Mott-Hubbard transition within    
  the dynamical mean-field theory    
18:00 SUPPER    
19:30 Panel discussion: Magnetism    
  A. Lichtenstein, H. Ebert, S. Savrasov, L. Sandratskii, etc.    









WEDNESDAY, 27 MAY
09:00 - 10:00 Antoine Georges (Paris)    
  Dynamical mean field theory: where is the frontier and    
  can we try pushing it further?    
10:00 - 10:30 COFFEE    
10:30 - 11:10 Werner Hanke (Würzburg)    
  From antiferromagnetism to superconductivity:    
  numerical evidence for SO(5) symmetry    
11:10 - 11:50 Daniil Khomskii (Groningen)    
  Negative charge-transfer gaps and self-doping    
  in transition-metal compounds    
11:50 - 12:30 Lars Hedin (Stuttgart)    
  On correlation effects in electron spectroscopies and GW-approximation    
12:30 - 14:00 LUNCH    
14:00 - 14:40 Ferdi Aryasetiawan (Lund)    
  Vertex corrections: Beyond GW    
14:40 - 15:20 Axel Svane (Aarhus)    
  Self-interaction corrected local spin density calculations    
15:20 - 16:00 Beate Paulus (Dresden)    
  Quantum chemical ab initio calculation of    
  electron correlation effects in polymers and solids    
16:00 - 16:30 COFFEE    
16:30 - 17:10 Alexander Trefilov (Moscow)    
  The effect electron spectra peculiarities on magnetic and lattice    
  properties of metals due to screening anomalies    
17:10 - 17:50 Jörg Schmalian (Urbana)    
  Evolution of coherent quasiparticles in charge transfer systems    
19:00 WORKSHOP DINNER IN 'SCHILLERGARTEN'    









THURSDAY, 28 MAY
09:00 - 10:00 Shiwei Zhang (Williamsburg)    
  Constrained path Monte Carlo methods and    
  applications to the Hubbard model    
10:00 - 10:30 COFFEE    
10:30 - 11:20 Lubos Mitas (Urbana)    
  Quantum Monte Carlo for electronic structure calculations    
11:20 - 12:00 Marcelo Rozenberg (Grenoble)    
  Spectroscopies of correlated electron systems    
12:00 - 12:30 Martin Ulmke (Augsburg)    
  Quantum Monte Carlo simulations of the disordered Hubbard antiferromagnet    
12:30 - 14:00 LUNCH    
14:00 - 14:50 Nelson Bickers (Los Angeles)    
  Progress on parquet theories for interacting electrons    
14:50 - 15:30 Werner Weber (Dortmund)    
  Multi-band Gutzwiller wave functions for general on-site interactions    
15:30 - 16:00 Vaclav Janis (Prague)    
  Strongly correlated electrons: dynamical vertex renormalizations    
  from parquet diagrams    
16:00 - 16:30 COFFEE    
16:30 - 17:10 Wolfgang Hübner (Halle)    
  Femtosecond spin dynamics probed by linear and non-linear magneto-optics    
17:10 - 17:50 Konstantin Kladko (Dresden)    
  Cumulants, Faddeev's equations and increment methods    
18:00 SUPPER    
19:30 Panel discussion: HTSC    
  M. Katsnelson, N. Plakida, V. Khodel, A. Moskvin, etc.    









FRIDAY, 29 MAY
09:00 - 10:00 Eberhard Gross (Würzburg)    
  Orbital functionals in density functional theory:    
  The optimized effective potential method    
10:00 - 10:30 COFFEE    
10:30 - 11:10 Vladimir Anisimov (Ekaterinburg)    
  First-principles calculations of the electronic structure and spectra of strongly    
  correlated systems: LDA+U and dynamical mean-field theory    
11:10 - 11:50 Wolfgang Nolting (Berlin)    
  Quasiparticle bandstructure of local-moment bandferromagnetism    
11:50 - 12:30 Igor Solovyev (Tsukuba)    
  Spin-wave dispersion as a probe for ab-initio band structure calculations:    
  The case of MnO    
12:30 - 14:00 LUNCH    
14:00 - 14:40 Helmut Eschrig (Dresden)    
  Electronic structure of Ytterbium pnictides (low carrier density,    
  charge ordering heavy fermions)    
14:40 - 15:20 Nobuo Furukawa (Zürich)    
  Theory of CMR manganites studied by infinite dimension methods    
15:20 - 16:00 Andrzej Oles (Cracow)    
  Dynamical mean-field theory for two dimensional systems with magnetic order    
16:00 - 16:30 COFFEE    
16:30 - 17:00 Sergey Dudarev (Oxford)    
  Scanning tunnelling microscope (STM) studies of transition metal and    
  actinide oxide surfaces: Images and their interpretation    
17:00 Mikhail Katsnelson (Ekaterinburg)    
  CLOSING REMARKS, DISCUSSION    
18:00 SUPPER    









POSTER SESSIONS




1. Frithjof Anders (Darmstadt)  
Two particle vertex in the two-channel Anderson-lattice:  
source for odd frequency superconductivity?  
2. Silke Biermann (Jülich)  
Proton quantum effects in Hydrogen under high pressure  
3. Klaus-Peter Bohnen (Karlsruhe)  
LDA calculations for low-temperature phase of C60  
4. Ralf Bulla (Dresden)  
The Hubbard model in the limit of infinite dimensions -  
a numerical renormalization group study  
5. Indra DasGupta (Stuttgart)  
Low energy model Hamiltonians for High Tc superconductors  
6. Václav Drchal, V. Janis, and J. Kudrunovský (Praha)  
Multiband Hubbard model constructed from the TB-LMTO method  
7. Norbert Elstner (Bonn)  
Low lying excitations in the Mott Phase of the Bose-Hubbard model  
8. Marcus Fleck (Stuttgart)  
Incommensurate magnetic order and transport properties of doped  
Mott-Hubbard systems  
9. Carsten Gröber, R. Eder, G. Hildebrand, W. Hanke (Würzburg)  
Static and dynamic Properties of 1-Band Hubbard-models  
10. Roland Hayn (Dresden)  
LSDA+U calculation for Ba2Cu3O4Cl2: comparison with photoemission data  
11. Karsten Held (Augsburg)  
Quantum Monte-Carlo simulation of the multi-band Hubbard model  
in the infinte-d limit  
12. Václav Janis (Praha)  
Correlated electrons in an external magnetic field  
13. Yuri Kudasov (Sarov)  
Nearest neighbour Correlations in Hubbard model  
14. Jesper Lægsgaard (Aarhus)  
Lattice models for heavy-fermion systems  
15. Julia Medvedeva (Ekaterinburg)  
Ab-initio dynamical mean-field calculation of photoemissision  
spectra of La1-xSrxTiO3  
16. Yuri Panov (Ekaterinburg)  
Non-rigid shell model and novel correlational effects in  
strongly correlated oxides  
17. Alexander Poteryaev (Ekaterinburg)  
First-principles calculations of the spectral function of doped cuprates  
18. Helge Rosner (Dresden)  
Tight-binding parameters and exchange integrals of Ba2Cu3O4Cl2  
19. Slava Rotkin (St-Petersburg)  
Frenkel-exciton solution of the Coulomb problem on the finite triangular lattice  
20. Tanusri Saha-Dasgupta  
From LDA band-structures to tight-binding models  
21. John Samson (Laughborough)  
Monte-Carlo sign problem and classical effective Hamiltonians:  
Symmetry-reduced Fourier kernels  

22. N. S. Vidhyadhiraja, A. N. Tahvildar-Zadeh, M. Jarrel and H. R. Krishnamurthy  
'Exhaustion' physics in the periodic Anderson model from iterated perturbation theory  
23. Ruben Weht (Davis)  
Extended moment formation and second neighbor coupling in Li2CuO2  
24. Andrej Zhuravlev (Ekaterinburg)  
Application of the 'leap-frog' method to the calculation of electronic Green functions  
for many particle and disordered one particle quantum systems  
25. Alfred Ziegler (Frankfurt)  
Calculations of electronic correlations for small clusters embedded in a crystal  
26. Markus Zölfl (Regensburg)  
Magnetic and optical properties of the three-band Hubbard model  
27. Martin Letz (Mainz)  
The negative U Hubbard model in 2d: how does the two-particle bound state
survive in a selfconsistent T-matrix calculation
 














PANEL SESSIONS




Hubert Ebert (München)  
Application of current density functional theory for  
spontanously magnetized solids  
Alexander Lichtenstein (Jülich)  
Spin-polarized quasiparticle band structure: LDA-DMFT aproach  
Alexander Moskvin (Ekaterinburg)  
Non-rigid shell model and novel correlational effects in  
strongly correlated oxides  
Nikolai Plakida (Dubna)  
Self-consistent calculations of electronic spectrum and  
superconducting Tc in the t-J model  
Leonid Sandratskii (Darmstadt)  
Conduction electron states in Gadolinium at finite temperatures  
Sergej Savrasov (Stuttgart)  
Linear response calculations of spin fluctuations