Putting the Theory Back in Density Functional Theory

August 22 - 26, 2016

Schedule


Monday, August 22, 2016

9:00 - 9:30
 
9:45 - 10:15
Carlos Garcia-Cervera (University of California, Santa Barbara (UCSB))

Mathematical foundations

 
10:45 - 11:15
Kieron Burke (University of California, Irvine (UCI))

Kohn-Sham equations

 
11:30 - 12:00
Carlos Garcia-Cervera (University of California, Santa Barbara (UCSB))

Kohn-Sham models (mathematical)

 
1:30 - 2:00
John Perdew (Temple University)

Local density approximation (LDA)

 
2:15 - 2:45
Mel Levy (Tulane University)

Exact constraints

 
3:15 - 3:45
Kieron Burke (University of California, Irvine (UCI))

Density matrices and holes

 
4:00 - 4:30
John Perdew (Temple University)

Generalized gradient approximation (GGA)

 
4:45 - 5:05
Attila Cangi (Max Planck Institute of Microstructure Physics)

Participant talk: The potential of Potential Functional Theory
PDF Presentation

 

Tuesday, August 23, 2016

9:00 - 9:30
Carlos Garcia-Cervera (University of California, Santa Barbara (UCSB))

Mathematical spin density functional theory

 
9:45 - 10:15
 
10:45 - 11:15
11:30 - 12:00
Weitao Yang (Duke University)

Derivative discontinuity and gaps

 
1:30 - 2:00
Jianfeng Lu (Duke University)

Localization (mathematical)

 
2:15 - 2:45
Paola Gori-Giorgi (Vrije Universiteit)

Exchange-correlation potential

 
3:15 - 3:45
Hardy Gross (Max Planck Institute of Microstructure Physics)

Time-dependent density functional theory

 
4:00 - 4:30
4:45 - 5:05
5:15 - 5:35

Wednesday, August 24, 2016

9:00 - 9:30
Adam Wasserman (Purdue University)

Chemical reactivity theory

 
9:45 - 10:15
Adrienn Ruzsinszky (Temple University)

Van-der-Waals interactions

 
10:45 - 11:15
Hardy Gross (Max Planck Institute of Microstructure Physics)

Many-body theory

 
11:30 - 12:00
1:30 - 2:00
Kieron Burke (University of California, Irvine (UCI))

Static correlation

 
2:15 - 2:45
Hardy Gross (Max Planck Institute of Microstructure Physics)

Magnetism

 
3:15 - 3:45
Paola Gori-Giorgi (Vrije Universiteit)

The strong-coupling limit of density functional theory

 
4:00 - 4:30
Neepa Maitra (Hunter College, CUNY)

Memory in Time-Dependent Density Functional Theory

 
4:45 - 5:05
5:15 - 5:35

Thursday, August 25, 2016

9:00 - 9:45
Adrienn Ruzsinszky (Temple University)

Renormalized perturbation theory for materials science
PDF Presentation

 
10:15 - 11:00
John Perdew (Temple University)

Physical Interpretation of the Generalized Kohn-Sham Band Gap for a Solid
PDF Presentation

 
11:30 - 12:15
Mel Levy (Tulane University)

Total energy as a simple sum of augmented orbital energies and Open Mathematical Problems
PDF Presentation

 
2:00 - 2:45
Paola Gori-Giorgi (Vrije Universiteit)

Lieb-Oxford bound

 
3:15 - 4:00
Neepa Maitra (Hunter College, CUNY)

Spuriously shifting resonances in TDDFT, and their impact on dynamics
PDF Presentation

 
4:30 - 4:50
Manuel Schoettler (Universit├Ąt Rostock)

Participant talk: Miscibility gap of hydrogen-helium mixtures

 
5:00 - 5:20

Friday, August 26, 2016

9:00 - 9:45
Weitao Yang (Duke University)

 

 
10:15 - 11:00
Adam Wasserman (Purdue University)

Partition Density Functional Theory
PDF Presentation

 
11:30 - 12:15
Jianfeng Lu (Duke University)

Frozen Gaussian approximation with surface hopping

 
2:00 - 2:45
Carlos Garcia-Cervera (University of California, Santa Barbara (UCSB))

Hartree-Fock with self-generated magnetic fields

 
3:15 - 4:00
Hardy Gross (Max Planck Institute of Microstructure Physics)

 

 
4:30 - 5:15
Kieron Burke (University of California, Irvine (UCI))

Recent development in density functional theory