Lorentz Center - Electronic Structure beyond Density Functional Theory from 12 Jul 2004 through 16 Jul 2004
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    Electronic Structure beyond Density Functional Theory
    from 12 Jul 2004 through 16 Jul 2004

 
Preliminary Program

Monday, July 12

09:15-09:20         Introduction

                            Chairman: Foulkes (London)

09:20-10:10         Ceperley (Urbana-Champaign)

                            Coupled Electron-Ion Monte Carlo

09:10-11:00         Bressanini (Como)

                            Much ado about .... zeroes (of trial functions)

11:00-11:30         Coffee/tea

11:30-12:00         Free discussion

12:00-13:30         Lunch

                            Chairman: Needs (Cambridge)

13:30-14:20         Mitas (North Carolina)

                            Topology of fermion nodes and local current conservation for accurate QMC wavefunctions

14:20-15:10         Zhang (Williamsburg)

                            Electronic structure by Slater determinant random walks

15:10-15:40         Coffee/tea

15:40-17:00         Discussion on fermion sign problem

                            Leader: M. Kalos (Livermore)

17:00                   Posters with wine & cheese

 

 

Tuesday, July 13

                            Chairman: Mitas (North Carolina)

09:20-10:10         Troyer (Zurich)

                            Overcoming free energy barriers in quantum Monte Carlo simulations

10:10-11:00         Grossman (Livermore)

                            Coupled quantum Monte Carlo and ab initio molecular dynamics simulations

11:00-11:30         Coffee/tea

11:30-12:30         Discussion on MD in QMC

                            Leader: Mitas (North Carolina)

12:30-15:00         Lunch and informal discussions

                            Chairman: Towler (Cambridge)

15:00-15:50         Sorella (Trieste)

                            Antisymmetrized Jastrow geminal product: an efficient Resonating Valence Bond approach to quantum chemistry

15:50-16:40         Fahy (Cork)

                            Energy minimization methods for Jastrow-Slater wavefunctions

16:40-17:00         Coffee/tea

17:00-18:30         Discussion on wave function optimization for ground and excited states

                            Leader: C. Filippi (Leiden)

 

 

Wednesday, July 14

                            Chairman: Ceperley (Urbana-Champaign)

09:20-10:10         Williamson (Livermore)

                            Linear scaling QMC of the optical properties of nanoclusters

10:10-11:00         Schuetz (Stuttgart)

                            Local correlation methods with density fitting

11:00-11:30         Coffee/tea

11:30-12:30         Discussion on linear scaling

                            Leader: Williamson (Livermore)

12:30-15:00         Lunch and informal discussions

                            Chairman: Krakauer (Williamsburg)

15:00-15:50         Godby (York)

                            Spectral, ground-state and transport properties of many-electron systems from a GW approach

15:50-16:40         Dolg (Koln)

                            Ab initio correlated calculations for periodic systems

16:40-17:00         Coffee/tea

17:00-18:30         Discussion on Pseudopotential/PseudoHamiltonian

                            Chairman: G. Bachelet (Roma)

 

 

Thursday, July 15

                            Chairman: Godby (York)

09:20-10:10         Umrigar (Cornell)

                            Quantum Monte Carlo study of planar quantum dots

10:10-11:00         Lichtenstein (Hamburg)

                            Multiband QMC for local DMFT problems

11:00-11:30         Coffee/tea

11:30-12:30         Discussion on Computing observables

                            Leader: Reynolds (Durham)

12:30-15:00         Lunch and informal discussions

                            Chairman: Pierleoni (L'Aquila)

15:00-15:50         Moroni (Roma)

                            Susceptibility of the electron gas

15:50-16:20         Wood (London)

                            Improving the accuracy of surface simulations

17:30                   Conference dinner

 

 

Friday, July 16

                            Chairman: Kalos (Livermore)

09:00- 9:50          Schmidt (Tempe)

                            Pairing Wave Functions in Quantum Monte Carlo

09:50-10:40         Rappe (Philadelphia)

                            Electronic parameter updates and atomic forces in quantum Monte Carlo

10:40-11:10         Coffee/tea

11:10-12:00         Needs (Cambridge)

                            Is DMC any good?

12:00-14:00         Lunch and informal discussions

14:00-15:30         Discussion and summary

                            Leader: Foulkes



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