Name:Agback, E. Martin W.
Session:NONE
Talk title:
Poster title:
Name:Alferova, Tatyana
Session:NONE
Talk title:
Poster title:
Name:Andersson, Mauritz
Session:NONE
Talk title:
Poster title:
Name:Andersson, Stefan
Session:NONE
Talk title:
Poster title:
Name:Apostolova, Elena Sergeevna
Session:VT
Talk title: Parameter De of the Morse
Potential as a New Index of
Reactivity for Estimation of Energy
of the Localized Bond in a Molecule
from an Vibration Spectrum
Poster title: Electronic Structure of Fe(CO)4 as a Fe(CO)5 Bond Breaking
Product
Name:Aquilanti, Vincenzo
Session:RC
Talk title: The Hyperquantization Algorithm Calculations of State-to State Cross Sections for Three Atom Reactions
Poster title:
Name:Avery, John Scales
Session:ECT
Talk title: MANY-ELECTRON STURMIAN BASIS SETS
Poster title:
Name:Bacchus, Marie-Christine
Session:NONE
Talk title:
Poster title: Theoretical treatment for the formation of CH5+ through radiative
association
Name:Bartkowiak, Wojciech
Session:NONE
Talk title:
Poster title: Quantum Chemical Calculations of the First-Order Hyperpolarizabilities of Molecules in solutions
Name:Bartlett, Rodney J.
Session:CC
Talk title: Ab Initio DFT OR New Development in
Coupled-Cluster Theory
Poster title:
Name:Bendazzoli, Gian Luigi
Session:NONE
Talk title:
Poster title: Full CI solution of perturbative equations
Name:Bittner, Eric
Session:CM
Talk title: Exciton localization and recombination dynamics in conjugated polymer systems
Poster title: The quantum trajectory approach to quantum dynamics.
Name:Bonatsos, Dennis
Session:CM
Talk title: The 3-dimensional q-deformed harmonic
oscillator and a unified description
of magic numbers of metal clusters
Poster title:
Name:Braña, Pedro
Session:NONE
Talk title:
Poster title: THE ROLE OF BRIDGED STRUCTURES IN THE REACTION BETWEEN CHLORINE ATOM AND ETHYLENE:
DOES THE DISSOCIATION MECHANISM INVOLVE ANY SHUTTLE MOTION?
Name:Brändas, Erkki J.
Session:NONE
Talk title:
Poster title: D-wave Bipolarionic Condensate with Short Range Repulsive Electronic Correlations in an Extended Hubbard Model of High T_c Cuprate Superconductors
Name:Caillat, Jérémie
Session:RC
Talk title:
Poster title: Electron transfer cross sections in slow C6+ + H(1s) collisions
Name:Capron, Nathalie
Session:CM
Talk title: DFT study of defects in germania
and silica
Poster title:
Name:Carniato, Stephane
Session:CM
Talk title:
Poster title:
Name:Chojnacki, Henryk
Session:VT
Talk title: Multideterminental Description of Model
Molecules System
Poster title:
Name:Cooper, David L
Session:VT
Talk title: Recent application of spin-coupled valence bond theory
Poster title:
Name:Cronstrand, Peter
Session:NONE
Talk title:
Poster title: Quadratic response theory for excited state absorbtion
Name:Dahl, Jens Peder
Session:NONE
Talk title: 1) Density Matrices and Phase-Space Functions 2) On The Cultivation of Concepts in Auntum Chemistry
Poster title:
Name:Delchev, Yavor Yordanov
Session:DMF
Talk title: On a Consistent Derivation of Atomic Energy Shell Corrections
Poster title:
Name:Durbeej, Bo
Session:NONE
Talk title:
Poster title:
Name:Elander, Nils O
Session:NONE
Talk title:
Poster title: Has been sent i to prof. Brändas
Name:Engström, Maria
Session:NONE
Talk title:
Poster title:
Name:Ericsson, Marie Linda
Session:NONE
Talk title:
Poster title:
Name:Eriksson, Leif A.
Session:NONE
Talk title:
Poster title:
Name:Filhol, Jean-Sebastien
Session:NONE
Talk title:
Poster title: A theorical study of Pd/Ni(110) surfaces: stress induced
nanostructed deposits vs alloying.
Name:Froelich, Piotr
Session:NONE
Talk title:
Poster title:
Name:Girard, Yvan
Session:NONE
Talk title:
Poster title: CONJUGATION AND DECONJUGATION IN SUBSTITUTED ENOLS AND THIOENOLS
Name:Glushkov, Alexander (Vasily)
Session:RFE
Talk title: 1. Atomic and molecular systems in the intense and superintense electric , magnetic and laser field: new quantum approaches
2. QED perturbation theory calculation of heavy and superheavy elements atoms and ions: new models and first results for Z=110-114
Poster title: 1). Model perturbation theory calculations of alkali dimers: giant splitting of 2 in Fr2-new effect
2). Quantum mechanics and electrodynamics of multiphoton processes (light scattering) in molecules. Quantum Chemistry and Chaos?
3). New quantum mechanical and electrodynamical models for catalytic processes on metals, semiconductors ,cluster: Simple Challenge!
Name:Glushkov, Vitaly Nicolaeyvich
Session:NONE
Talk title:
Poster title: 1. Perurbation treatment based on a partially
restricted Slater determinant (ECT section)
2. Asymptotic method of projecting states and its application
to the excited state problem (CC section)
Name:Goscinski, Osvaldo
Session:NONE
Talk title:
Poster title:
Name:Haymet, A.D.J (Tony)
Session:NONE
Talk title:
Poster title:
Name:Hubac, Ivan
Session:ECT
Talk title: Brillouin-Wigner coupled cluster theory
Poster title:
Name:Ishikawa, Yasuyuki
Session:RFE
Talk title: Relativistic multireference
perturbation calculations of magnetic dipole and
electric quadrupole
transition rates and term energies for heavy-atom
systems.
Poster title:
Name:Ivanov, Mikhail
Session:RT
Talk title: Finite-difference calculations for atoms and
diatomic molecules in strong magnetic
and static electric fields
Poster title:
Name:Jansson, Magnus
Session:NONE
Talk title:
Poster title:
Name:Jonsell, Svante
Session:NONE
Talk title:
Poster title:
Name:Kaldor, Uzi
Session:ECT
Talk title: New coupled-cluster methods
Poster title:
Name:Kamenski, Alexander Anatolyevich
Session:RT
Talk title: Hydrogen line intensity variation in a field of a point charge
Poster title: Hydrogen line intensity variation in a field of a point charge
Name:Kaplan, Ilya G.
Session:VB
Talk title: Nature of binding in closed- subshell-atom (Be,Mg,Ca) compounds
Poster title:
Name:Karlsson, Erik B.
Session:NONE
Talk title:
Poster title: Entangled proton states in condensed matter?
Name:Karlsson, Hans O.
Session:NONE
Talk title:
Poster title:
Name:Kerkines, Ioannis S.K.
Session:NONE
Talk title:
Poster title: Electronic structure of the transition metal cation
carbides, ScC^+ and TiC^+.
An ab initio investigation.
Name:Komninos, Yannis
Session:NONE
Talk title: Molecular shape, shape of the geometrically active
atomic states and hybridization
Poster title:
Name:Kryachko, Eugene Serge
Session:CC
Talk title: Theoretical Study of Tautomerism of Uracil:
Structures of Uracil Tautomers,
IR Spectra,
Monohydration and Their Protonation-Deprotonation Energies
Poster title: 1)Protonation-Deprotonation Energies ofThiouracils and Their Implication for Thiouracil-Water Complexes-Ab Initio Study.
2)Modeling the Pentacoordinated Hydrogen-Bonded Patterns in Liquid Water
Name:Kuleff, Alexander
Session:NONE
Talk title:
Poster title: Application of the 3-dimensional q-deformed oscillator to the description of metal clusters
Name:Ladik, Janos
Session:DMF
Talk title: Correlation Corrected HF and DFT Computations on Periodic Polymers
Poster title:
Name:Lantto, Perttu Olavi
Session:NONE
Talk title:
Poster title: Core correlation contributions
to NMR parameters
Name:Larson, Åsa
Session:NONE
Talk title:
Poster title:
Name:Larsson, Björn
Session:NONE
Talk title:
Poster title:
Name:Larsson, Per-Erik
Session:NONE
Talk title:
Poster title:
Name:Lefebvre, Roland
Session:RT
Talk title: Field assisted tunneling in
nanostructures
Poster title: same title, if talk not
accepted
Name:Levin, Sergey B.
Session:NONE
Talk title:
Poster title:
Name:Liu, Wenjian
Session:RFE
Talk title: Relativistic MCSCF by means of quasi-degenerate direct perturbation theory:
theory and application
Poster title:
Name:Llano, Jorge
Session:NONE
Talk title:
Poster title:
Name:Lundqvist, Maria J
Session:NONE
Talk title:
Poster title:
Name:Lunell, Sten G.B.
Session:NONE
Talk title:
Poster title: Was H2- observed in solid H2?
A theoretical answer.
Name:Luo, YI
Session:NONE
Talk title:
Poster title:
Name:Macak, Peter
Session:NONE
Talk title:
Poster title: Electronic and vibronic contributions to two-photon absorption of
molecules with multi-branched structures
Name:Malinovskaya, Svetlana (Vladimirovna)
Session:RT
Talk title: 1. Laser-nuclear-molecular quantum theory and spectroscopy - New trend in quantum chemistry and spectroscopy
Poster title: 1). S-matrix formalism in calculations of atoms, ions and molecules. Gauge problem in Quantum Chemistry!
2). Quantum Chemical calculations of the diatomic Van der Waalse systems
Name:Maquet, Alfred
Session:RFE
Talk title:
Poster title:
Name:Markovits, Alexis
Session:CM
Talk title:
Poster title: PERIODIC AB INITIO STUDY OF THE ADSORPTION OF Ni ON MgO(100) SURFACE
Name:Martin, Inmaculada
Session:RT
Talk title: Still undecided as to whether a talk
or a poster
Poster title:
Name:Martinsky, Cyril
Session:CM
Talk title: Structure and Bonding in Fe3(CO)12
Cluster : an ELF Analysis
Poster title:
Name:Maruani, Jean
Session:NM
Talk title:
Poster title:
Name:Mavridis, Aristides
Session:NONE
Talk title:
Poster title:
Name:Minaev, Boris F
Session:VT
Talk title: Spin Uncoupling in Chemical Reactions
Poster title:
Name:Minot, Christian Jacques
Session:CM
Talk title: Modelling of the Ziegler-Natta reaction on bimetallic clusters
Poster title:
Name:Monard, Gerald
Session:RC
Talk title:
Poster title:
Name:Moule, David C.
Session:NM
Talk title: A COMPUTER SIMULATION OF THE RING PUCKERING AND OXYGEN WAGGING DYNAMICS IN THE So STATE OF CYCLOBUTANONE.
Poster title:
Name:Mujica, Vladimiro
Session:CM
Talk title: Coulomb effects on molecular conductance
Poster title:
Name:Mukherjee, Prasanta Kumar
Session:NONE
Talk title:
Correlation effects in doubly
excited levels of atoms
Poster title:
Name:Nagy, Agnes
Session:DMF
Talk title: Theory for a single excited state
Poster title:
Name:Ortiz, Joseph Vincent
Session:ECT
Talk title: Adiabatic Electron Binding Energies
from Electron Propagator Calculations
Poster title:
Name:Palma Almendra, Alejandro
Session:NONE
Talk title:
Poster title: Floquet States and Operator Algebra
Name:Papakondylis, Aristotle
Session:NONE
Talk title:
Poster title: 1. "Electronic and Geometrical Structure of Li[BO]. An
ab initio investigation".
2. "Ab initio study of the Ground and Low Lying states
of the BaI radical".
Name:Parry, David E.
Session:DMF
Talk title:
Poster title: title uncertain, but should be on analysis of core Auger spectra
Name:Pavlov, Rossen Lubenov
Session:NONE
Talk title:
Poster title: Spin-Spin Electron-Electron and Electron-Nuclei Interactions in the Framework of Method of Reduced Density Matrices
Name:Pedersen, Thomas Bondo
Session:RT
Talk title: Non-orthogonal orbital optimized coupled cluster theory
Poster title:
Name:Petersson, Asa Johanna
Session:NONE
Talk title:
Poster title:
Name:Plashkevych, Oleksandr
Session:NONE
Talk title:
Poster title: Vibrational contributions to NEXAFS
and XPS spectra
Name:Privalov, Timofei
Session:NONE
Talk title:
Poster title: Temperature dependence and Debye-Waller factors for resonant X-ray Raman scattering in solids
Name:Pyykko, Pekka
Session:VT
Talk title: Stanislaw Jerzy Lech and
quantum chemistry
Poster title:
Name:Raber, Johan
Session:NONE
Talk title:
Poster title:
Name:Rettrup, Sten
Session:ECT
Talk title: Some Graphical Techniques in Many-Electron Theory
Poster title:
Name:Riviere, Gerard
Session:NONE
Talk title: Chemistry in COST and other
programmes in chemistry in Europe
Poster title:
Name:Rung, Johan
Session:NONE
Talk title:
Poster title:
Name:Saalmann, Ulf
Session:RC
Talk title: Reaction Dynamics of Metallic
Clusters Colliding with Atoms
Poster title:
Name:Salek, Pawel
Session:NONE
Talk title:
Poster title: X-ray Raman scattering with
broken Franck-Condon principle.
Name:Salhi-Benachenhou, Nessima
Session:NONE
Talk title:
Poster title:
Name:Senent Diez, Maria Luisa
Session:NM
Talk title: Ab Initio Determination of the Far Infrared Spectra of Some Isotopic Varieties of Ethanol.
Ab Initio Harmonic Analysis of the Large Amplitude Motions in Ethanol Dimers.
Poster title: Theoretical and Experimental study of the Acetohidroxamic acid protonation. The solvent effect
Name:Shidlovskaya, Emma K.
Session:NONE
Talk title:
Poster title: Embedded molecular cluster model with
improved boundary conditions
Name:Silvi, Bernard
Session:VT
Talk title: The topological theory of Chemical bonding: A mathenmatical model of the Lewis theory.
Poster title:
Name:Skalli, Mohammed Khalid
Session:NONE
Talk title:
Poster title: nteraction of Ni with MgO (100)surface. A periodic ab initio study
Name:Smeyers, Yves Gabriel
Session:NM
Talk title: Influence of the Vibrational Zero Point Correction on the Amine Inversion Barrier and the Fir Spectrum of Methylamine.
Poster title:
Name:Srivastava, Vipin
Session:ECT
Talk title: Hidden New Information in Löwdin and other Orthogonalization Methods
Poster title: Spin Glass like Neural Network Model for the Brains Capability to
Discriminate and Categorise
and/or
New Results on the Quantum Hall Effect
Name:Stepanov, Igor Aleksandrovich
Session:VT
Talk title: The Reason of Big Discrepancy Between the Experimental and
Theoretical Dissociation Energies
Poster title:
Name:Sutcliffe, Brian T
Session:NM
Talk title: Nuclear Motions and dipole moments
Poster title:
Name:Szmytkowski, Radoslaw
Session:RFE
Talk title: The Dirac-Coulomb Sturmian basis sets
Poster title: Variational R-matrix methods for many-electron systems
Name:Tapia-Olivares, Orlando
Session:NONE
Talk title:
Poster title: Towards a Rigged Born-Oppenheimer Electronic Theory of Chemical Processes
Name:Tzeli, Demeter
Session:NONE
Talk title:
Poster title: "Water-acetylene interactions. An ab initio analysis of the cluster (H2O)x-C2H2,
x=1,2,3,4"
Name:Vaara, Juha Tapani
Session:NONE
Talk title:
Poster title: Density-functional calculations of
the NMR shielding and EPR g-tensors
using spin-orbit pseudopotentials
Name:Valdemoro, Carmela
Session:NONE
Talk title: Contracted Schrodinger Equation metodology
Poster title:
Name:Varandas, Antonio J.C.
Session:RC
Talk title: Generalized Born-Oppenheimer approximation and the geometric phase effect: nuclear dynamics in the vicinity of a crossing seam
Poster title:
Name:Veseth, Leif
Session:DMF
Talk title:
Poster title:
Name:Villa, Maria
Session:NM
Talk title: Dynamical Study of TriMethylAmine by Means of The Non-rigid Group Theory
Poster title:
Name:Wahnon Benarroch, Perla
Session:CM
Talk title:
Poster title: DFT Calculations of Intermediate Band Solar Cell Semiconductors.
Name:Wijnen, Jan Willem
Session:NONE
Talk title:
Poster title:
Name:Wilson, Stephen
Session:RFE
Talk title: The Dirac Equation in the algebraic approximation.
A comparison of molecular finite difference and finite basis set calculations
using distributed Gaussian basis sets
Poster title: On the generalized Brillouin-Wigner perturbation theory and the many-body problem
Name:Yotov, Plamen Tsvetkov
Session:NONE
Talk title:
Poster title: Gradient Corections to the Kinetic Energy Density Function Steaming from a Regular Two-Component Relativistic Hamiltonian
Name:Zapol, Boris P
Session:ECT
Talk title: GAUGE TRANSFORMATIONS OF ELECTRON GROUP FUNCTIONS AND GENERALISATION
OF PSEUDOPOTENTIALS
Poster title: AN ATTEMPT TO REALISE THE LEVY-LIEB FUNCTIONAL
Name:Ågren, Hans A
Session:RC
Talk title: Femtosecond dynamics of core excitation processes
Poster title: