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Frontiers in Quantum Systems in Chemistry and Physics [2008]

1
Introduction to the Workshop
2
Quantum Systems in Chemistry and Physics XIIth Workshop Report
3
Study of the Electronic Structure of the Unconventional Superconductor Sr<sub>2</sub>RuO<sub>4</sub> by the Embedded Cluster Method
4
An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry
5
Method of Moments of Coupled Cluster Equations Employing Multi-Reference Perturbation Theory Wavefunctions: General Formalism, Diagrammatic Formulation, Implementation, and Benchmark Studies
6
Guidelines on the Contracted Schrödinger Equation Methodology
7
Molecular Energy Decompositions in the Hilbert-Space of Atomic Orbitals at Correlated Level
8
Dirac-Coulomb Equation: Playing with Artifacts
9
Are Einstein’s Laws of Relativity a Quantum Effect?
10
Electron Correlation and Nuclear Motion Corrections to the Ground-State Energy of Helium Isoelectronic Ions from Li to Kr
11
Unusual Features in Optical Absorption and Photo-Ionisation of Quantum Dot Nano-Rings
12
Relative Energies of Proteins and Water Clusters Predicted with the Generalized Energy-Based Fragmentation Approach
13
Generalised Spin Dynamics and Induced Bounds of Automorphic [<italic>A</italic>]<sub><italic>n</italic></sub><italic>X</italic>, [<italic>AX</italic>]<sub><italic>n</italic></sub> NMR Systems via Dual Tensorial Sets: An Invariant Cardinality Role for CFP
14
The Macroscopic Quantum Behavior of Protons in the KHCO<sub>3</sub> Crystal: Theory and Experiments
15
A DFT Study of Adsorption of Gallium and Gallium Nitrides on Si(111)
16
Viscosity of Liquid Water via Equilibrium Molecular Dynamics Simulations
17
Stochastic Description of Activated Surface Diffusion with Interacting Adsorbates
18
Interactions and Collision Dynamics in O<sub>2</sub> + O<sub>2</sub>
19
The Non-Adiabatic Molecular Hamiltonian: A Derivation Using Quasiparticle Canonical Transformations
20
Alternative Technique for the Constrained Variational Problem Based on an Asymptotic Projection Method: I. Basics
21
Alternative Technique for the Constrained Variational Problem Based on an Asymptotic Projection Method: II. Applications to Open-Shell Self-Consistent Field Theory
22
<italic>SU</italic>(<italic>m</italic>(≤ 4)) × <italic>l</italic><sub>20</sub> ↓ <italic>A</italic><sub>5</sub> Group Branching Rules Revisited: Inverse Polyhedral Combinatorial Modelling via (λ) to {< λ′ >} ⊵ λ<sub><italic>SA</italic></sub><italic>SST</italic> Maps
23
Gauge-Invariant QED Perturbation Theory Approach to Calculating Nuclear Electric Quadrupole Moments, Hyperfine Structure Constants for Heavy Atoms and Ions
24
New Laser-Electron Nuclear Effects in the Nuclear γ Transition Spectra in Atomic and Molecular Systems
25
QED Approach to Atoms in a Laser Field: Multi-Photon Resonances and Above Threshold Ionization
26
A Collaborative Virtual Environment for Molecular Electronic Structure Theory: A Prototype for the Study of Many-Body Methods
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