Oral Presentations


SEPTEMBER 2
                                                                                      

SESSION 1 – SESSION CHAIR:  PHILIP HOGGAN

HOUR LECTURER LECTURE  TITLE
09:30-09:40 Philip E. Hoggan Official Opening
09:40-10:20 Peter Gill Generalizing the Local Density Approximation
10:20-11:00 Jun Yasui Polynomial expression of molecular integrals over STF for defining the algebraic molecular orbital equation
11:00-11:20 Coffee Break
11:20-12:00 Christian Ochsenfeld Fast quantum-chemical methods for large molecules:from intermolecular interactions to response properties
12:00-12:30 Maria Belen Ruiz Bound state spectra of light atoms and ions using the Hylleraas-CI method
12:30-14:00 Lunch

 

SESSION 2 – SESSION CHAIR:  PETER GILL

HOUR LECTURER LECTURE  TITLE
14:00-14:40 Irek Grabowski Optimized Effective Potential Method based on the Scaled–Opposite–Spin Second–Order Correlation
14:40-15:10 Monika Musial Multireference Coupled Cluster Theory in the Study of the Dissociation of a Single Bond
15:10-15:30 Justyna Cembrzynska Second-Order Perturbation Corrections To Excitation Energies From Fock Space Coupled-Cluster Method In The Intermediate Hamiltonian Formulation
15:30-16:00 Coffee Break
16:00-16:30 Alex Borgoo Exploring homogeneity under density scaling and Molecular binding in post-Kohn–Sham orbital-free DFT
16:30-17:00 Evgeny Epifanovsky Using mathematical and software tools to attack the complexity and computational cost of correlated electronic structure methods
17:00 Close

SEPTEMBER 3 

SESSION 3 – SESSION CHAIR:  CYRUS UMRIGAR

HOUR LECTURER LECTURE  TITLE
09:30-10:10 Cyrus Umrigar Semistochastic Quantum Monte Carlo — A hybrid of of Exact Diagonalization and Quantum Monte Carlo methods
10:10-10:50 Francesco Pederiva Configuration Interaction Monte Carlo with Coupled Cluster wave functions
10:50-11:10 Coffee Break
11:10-11:50 Stuart Rothstein Reliable estimates of physical properties via pure sampling quantum Monte Carlo
11:50-12:30 Julien Toulouse Combining many-body methods and density-functional theory
12:30-14:00 Lunch

  

SESSION 4 – SESSION CHAIR: CHRISTIAN OCHSENFELD

HOUR LECTURER LECTURE  TITLE
14:00-14:40 David Tew Explicitly correlated coupled cluster methods for big molecules and
periodic systems.
14:40-15:20 Devrim Güçlü Electronic correlations in graphene nanostructures
15:20-15:50 Coffee Break
15:50-16:10 Pierre François Loos Quantum Monte Carlo for uniform electron gases
16:10-16:30 Song Jon Wong Efficient evaluation of short-range Gaussian attenuation Hartree-Fock exchange for periodic systems and large molecules
16:30-17:10 Ahmed Bouferguene
17:00 Close

 

 SEPTEMBER 4 

SESSION 5 – SESSION CHAIR:  MARIA BELEN RUIZ

HOUR LECTURER LECTURE  TITLE
09:30-10:10 Harris Silverstone Evaluation of Molecular Integrals by Numerical Contour Integration: Two-Center Noninteger-n Overlap, Coulomb, and Kinetic-Energy Integrals and Beyond
10:10-10:50 James Avery Practical ETO Molecular Integrals using Hyperspherical Harmonics
10:50-11:10 Coffee Break
11:10-11:50 Jorge Perez Considering only 1s orbitals: “A model for approximating the electron molecular wave functions with Gaussian and STO orbitals” and “Analogies between the properties of the Sine function and some multi centre molecular integrals using STO”
11:50-12:30 Ugo Ancarani A Sturmian approach to photoionization processes of atoms and molecules
12:30-14:00 Lunch

 

SESSION 6– SESSION CHAIR: PHILIP HOGGAN

HOUR LECTURER LECTURE  TITLE
14:00-14:40 Ali Bağcı The Use of Noninteger Slater-type Orbitals in Calculation of Electronic Structure of Molecules
14:40-15:10 Alessandro Genoni Looking for “Experimental Wave Functions”: Extraction of Extremely Localized Molecular Orbitals from X-Ray Diffraction Data
15:10-15:40 Coffee Break
15:40-16:20 Frank Harris Recent Progress in the Use of Fully Correlated Exponentials for the Description of Four-Body Coulomb Systems
16:20-17:00 Krzysztof Pachucki Applications of two-center integrals with exponential functions
to the hydrogen molecule
17:00 Close

 

SEPTEMBER 5 

SESSION 7– SESSION CHAIR:  FRANK HARRIS

HOUR LECTURER LECTURE  TITLE
09:30-10:00 Telhat Özdoğan Combined Hartree-Fock-Roothaan Theory of Atomic and Molecular Compton Profiles
10:10-10:40 Ksenia Bravaya Electronic structure theory for autoionizing electronic states: challenges and prerequisites
10:40-11:00 Ewa Pastorczak Excitation Energies Of Molecules From Multiconfigurational Range-Separated Ensemble Density Functional Theory
11:00-11:20 Coffee Break
11:20-11:40 Yusaku Kurokawa General Coalescence Conditions for the Exact Wave Functions: Higher-Order Relations for Many-Particle Systems
11:40-12:10 Murat Ertürk Comparison of Size-extensivity Corrections in Single- and Multi-Reference Configuration Interaction Methods: Ground and Excited States
12:10 Close

 

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