Advances in Quantum Chemistry. Volume 88

Table of Contents

1. Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model.Stijn De Baerdemacker, Hugh Burton, Amir Ayati, Xeno De Vriendt, Patrick Bultinck and Guillaume Acke2. Analytical evaluation of Hylleraas-CI Coulomb and Hybrid two-center Integrals over Slater orbitalsMaria Belen Ruiz3. Hartree-Fock-Roothaan Theory of Molecular Compton Profiles Via Position Space MethodTelhat Ozdogan4. Analysis of Research Trend on the Molecular Integrals Over Slater Type OrbitalsMetin Orbay, Telhat Ozdogan and Mehmet Kara5. An efficient approximation for accelerating convergence of numerical power series. Results for the 1D-Schroedinger equationAli Bagci and Z?hra G?nes6. The aims and objectives of algebraic molecular orbital theoryJun Yasui7. "Binding Energies for Successive Addition Reaction of .OH with C60: A Laboratory for Testing Frontier Molecular Orbital Theory"Mark Earl Casida, Abraham Ponra, Anne Justine ETINDELE and Ousmanou MOTAPON8. Potential energy curves of the LiRb+ molecular ion from ab initio calculations with all electrons correlatedMonika Musial and Grzegorz i Skrzynsk9. On the use of complex GTOs for the evaluation of radial integrals involving oscillating functionsLorenzo Ugo Ancarani10. Hartree-Fock Calculations on Atoms With Coulomb Sturmian Basis SetsDaniel Gebremedhin11. Exploring new exchange-correlation kernels in the Bethe-Salpeter equation: a study of the asymmetric Hubbard dimerPierre-Francois Loos, Pina Romaniello and Roberto Orlando12. Convergence of M?ller-Plesset perturbation theory for excited reference statesHugh Burton and Diana-Gabriela Oprea13. Electronic structure in organic dye-sensitized solar cells: Insight from density functional theory and electron dynamics"Hilke Bahmann, Dejan Gemeri and Jean Christophe Tremblay14. Fully Automatic Calculations of Atomic Energy Levels With Truncation Energy ErrorsCarlos F. Bunge15. Quantum Monte Carlo method describing supported metal catalysis: Ni(111)/alumina decomposing methane as a route to hydrogen.Philip HOGGAN16. Summation By Educated Match: A Powerful Technique To Sum Both Convergent And Divergent SeriesHarris J. Silverstone17. Natural Orbital Functional Theory Studies of All-Metal Aromaticity. The Al3 anionMario Piris, Jesus M. Ugalde, Jose M. Mercero and Rafael Grande-Aztatzi18. REG-FFLUX: Lifting the veil on electrostatic interactionsPaul Popelier, Fabio Falcioni and Benjamin Symons19. Quantum Monte Carlo method for metal-film catalysis: water addition to carbon monoxide adsorbed on Pt/Al(111), efficient hydrogen productionPhilip HOGGAN, Asli ?zt?rk Kiraz and Ali Bagci

Authors

Erkki J. Br�ndas Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, Sweden. Erkki Br�ndas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD's from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology - from the microscopic realm to the cosmological rank.