Preliminary Workshop Program
invited talks: 40 min + 10 min discussion
contributed talks: 25 min + 5 min discussion
| Tuesday, September 11 | |
| 16:30 - 20:00 | Registration |
| 19:00 - 22:00 | Welcome banquet |
| Wednesday, September 12 | |
| 08:45 - 09:00 | Opening |
| Peter Fulde (Director MPIPKS) and Organizers | |
| Chairperson: Hermann Stoll | |
| 09:00 - 09:50 | Rodney J. Bartlett (University of Florida) |
| The natural linear scaled coupled-cluster approach to energies, structure, and spectra of large molecules | |
| 09:50 - 10:20 | Heinz-Jürgen Flad (Universität Kiel) |
| Multiscale methods in electronic structure calculations | |
| (PDF-Download) | |
| 10:20 - 10:50 | Hongjun Luo (MPI for Mathematics in the Sciences Leipzig) |
| Perturbative calculation of Jastrow factors | |
| (PDF-Download) | |
| 10:50 - 11:20 | Coffee break |
| Chairperson: Nicola Gaston | |
| 11:20 - 12:10 | Gustavo Scuseria (Rice University) |
| Screened hybrid functionals for solid-state calculations | |
| 12:10 - 12:40 | Erik McNellis (Fritz-Haber-Institut) |
| Accurate description of the bonding of C6H6 at noble metal surfaces, using a local exchange correlation correction scheme | |
| (PDF-Download) | |
| 12:40 - 14:30 | Lunch break |
| Chairperson: Martin Head-Gordon | |
| 14:30 - 15:20 | Kazuo Kitaura (Kyoto University) |
| Fragment MO-based correlation methods for large molecules | |
| (PDF-Download) | |
| 15:20 - 16:10 | Alexander Auer (Technische Universität Chemnitz) |
| Amplitude screening in local coupled cluster approaches - Accurate and expensive ? | |
| (PDF-Download) | |
| 16:10 - 16:40 | Coffee break |
| Chairperson: Martin Schütz | |
| 16:40 - 18:00 | Poster Presentations |
| 18:00 - 19:30 | Dinner |
| Chairperson: Cesare Pisani | |
| 19:30 - 20:30 | Evening Talk |
| Peter Fulde (MPIPKS) | |
| The correlation hole of an electron | |
| (PDF-Download) | |
| 20:30 - 22:00 | Poster Session I |
| Thursday, September 13 | |
| Chairperson: Gustavo Scuseria | |
| 09:00 - 09:50 | Lorenzo Maschio (Università degli Studi di Torino) |
| Towards a general purpose code for the evaluation of correlation in crystalline solids: The CRYSCOR project. Theory, current status and prospects | |
| (PDF-Download) | |
| 09:50 - 10:40 | Denis Usvyat (Universität Regensburg) |
| Density-fitted periodic local MP2 method. Application to molecular crystals and surface adsorption | |
| (PDF-Download) | |
| 10:40 - 11:10 | Coffee Break |
| Chairperson: Volker Staemmler | |
| 11:10 - 12:00 | Jeppe Olsen (University of Aarhus) |
| The use of local basis functions in correlated calculations | |
| (PDF-Download) | |
| 12:00 - 12:30 | Gernot Stollhoff (MPI for Solid State Research) |
| Closing the gap to reality: Non local exchange and correlations in metals | |
| 12:30 | Lunch |
| afternoon | Excursion to Pillnitz Castle |
| evening | Workshop Dinner at the Castle Restaurant |
| Friday, September 14 | |
| Chairperson: Alexander Auer | |
| 09:00 - 09:50 | Martin Head-Gordon (University of California, Berkeley) |
| Local correlation models: Problems and possible solutions | |
| 09:50 - 10:40 | Hermann Stoll (Stuttgart University) |
| Long-range correlation and local increments | |
| 10:40 - 10:45 | Group Photo |
| 10:40 - 11:10 | Coffee Break |
| Chairperson: Rodney J. Bartlett | |
| 11:10 - 12:00 | Nicola Gaston (Industrial Research Limited) |
| The lattice structures of the group IIB metals: a local correlation treatment | |
| (PDF-Download) | |
| 12:00 - 12:30 | Joachim Friedrich (University Cologne) |
| Implementation of the incremental scheme and application to CCSD energies | |
| (PDF-Download) | |
| 12:30 - 14:30 | Lunch Break |
| Chairperson: Kazuo Kitaura | |
| 14:30 - 15:20 | Volker Staemmler (Ruhr-Universität Bochum) |
| The scheme of local increments for calculating adsorption energies of molecular adsorbates at solid surfaces | |
| (PDF-Download) | |
| 15:20 - 15:50 | Peter Reinhardt (University Paris VI) |
| From CI to CEPA to perturbation - being well-dressed may be important | |
| (PDF-Download) | |
| 15:50 - 16:40 | Coffee Break |
| Chairperson: Stefano Evangelisti | |
| 16:40 - 17:10 | Elke Pahl (Massey University) |
| Calculation of band structures using wave-function based correlation methods | |
| (PDF-Download) | |
| 17:10 - 17:40 | Liviu Hozoi (MPIPKS) |
| Quasiparticle bands in oxides with quantum chemical methods | |
| (PDF-Download) | |
| 17:40 - 18:10 | Alexandrina Stoyanova (MPIPKS) |
| Many-electron bands in transition metal compounds (pdf-file) | |
| 18:10 - 19:30 | Dinner |
| 19:30 - 22:00 | Poster Session II |
| Saturday, September 15 | |
| Chairperson: Denis Usvyat | |
| 09:00 - 09:50 | Stefano Evangelisti (Université Paul Sabatier) |
| A localized multi-reference approach: Application to mixed-valence systems | |
| 09:50 - 10:20 | Sven Larsson (Chalmers University of Technology) |
| Coupling between nuclear and electronic motion. Experimental proofs and theoretical interpretation | |
| (PDF-Download) | |
| 10:20 - 10:50 | Coffee Break |
| Chairperson: Lorenzo Maschio | |
| 10:50 - 11:20 | Charles Patterson (University of Dublin) |
| Nature of striped phases in cuprates with x ~ 1/8 | |
| (PDF-Download) | |
| 11:20 - 11:50 | Jörg Bünemann (Philipps-Universität Marburg) |
| The Gutzwiller variational theory: Electronic and magnetic properties of transition metals | |
| (PDF-Download) | |
| 11:50 - 12:20 | Aymeric Sadoc (Rijksuniversiteit Groningen) |
| Influence of charge transfer in 3d perovskite oxides | |
| (PDF-Download) | |
| 12:20 - 12:30 | Closing |
| 12:30 | Lunch |
| afternoon | Guided City Tour or Hiking Tour in the Saxon Switzerland |
Last updated: October 15, 2007
 |