Frontiers in Quantum Systems in Chemistry and Physics (eBook)

Part I - Workshop
Introduction to the Workshop (Stephen Wilson).- Quantum Systems in Chemistry and Physics XII Workshop Report (Stephen Wilson).
Part II - ProceedingsStudy of the electronic structure of the unconventional superconductor Sr2RuO4 by the embedded cluster method (Ilya G. Kaplan and Jacques Soullard).- An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry (Garnet Kin-Lic Chan, Jonathan J. Dorando, Debashree Ghosh, Johannes Hachmann, Eric Neuscamman, Haitao Wang, and Takeshi Yanai).- Method of Moments of Coupled Cluster Equations Employing Multi-Reference Perturbation Theory Wavefunctions: General Formalism, Diagrammatic Formulation, Implementation, and Benchmark Studies (Maricris D. Lodriguito and Piotr Piecuch).- Guidelines on the Contracted Schrödinger Equation Methodology (C. Valdemoro, D.R. Alcoba, L.M. Tel, and E. Pérez-Romero).- Molecular Energy Decompositions in the Hilbert-space of Atomic Orbitals at Correlated Level (Diego R. Alcoba, Roberto C. Bochicchio, Luis Lain and Alicia Torre).- Dirac-Coulomb Equation: Playing with Artifacts (G. Pestka, M. Bylicki, and J. Karwowski).- Are Einstein’s Laws of Relativity a Quantum Effect? (E.J. Brändas).- Electron Correlation and Nuclear Motion Corrections to the Ground-State Energy of Helium Isoelectronic Ions, from Li to Kr (R.L. Pavlov, J. Maruani, L.M. Mihailov, Ch.J. Velchev, and M. Dimitrova-Ivanovich).- Unusual Features in Optical Absorption and Photo-Ionisation of Quantum Dot Nano-Rings (Ioan Bâldea and Lorenz S. Cederbaum).- Relative Energies of Proteins and Water Clusters Predicted with the Generalized Energy-based Fragmentation Approach (Wei Li, Hao Dong, and Shuhua Li).- Generalised Spin Dynamics & Induced Bounds of Automorphic [A]nX, [AX]n NMR Systems via Dual Tensorial Sets: An Invariant Cardinality Role for CFP (F.P. Temme).- The Macroscopic Quantum Behavior of Protons in the KHCO3 Crystal: Theory and Experiments (François Fillaux, Alain Cousson, and Matthias J. Gutmann).- A DFT study of adsorption of gallium and gallium nitrides on Si(111) (Demeter Tzeli, Giannoula Theodorakopoulos, and Ioannis D. Petsalakis).- Viscosity of liquid water via equilibrium molecular dynamics simulations (Gerardo Delgado-Barrio, Rita Prosmiti, Pablo Villarreal, Gabriel Winter, Juan S. Medina, Begoña González, Jóse V. Alemán, Juan L. Gomez, Pablo Sangrá, Jóse J. Santana, and María E. Torres).- Stochastic Description of Activated Surface Diffusion with Interacting Adsorbates (R. Martínez-Casado, J.L. Vega, A.S. Sanz, and S. Miret-Artés).- Interactions and collision dynamics in O2+O2 (José Campos-Martínez, Marta I. Hernández, Massimiliano Bartolomei, Estela Carmona-Novillo, Ramón Hernández-Lamoneda, and Fabrice Dayou).- The non-adiabatic molecular Hamiltonian: A derivation using quasiparticle canonical transformations (Ivan Hubac and Stephen Wilson).- Alternative technique for the constrained variational problem based on an asymptotic projection method: I. Basics (V.N. Glushkov, N.I. Gidopoulos, and S. Wilson).- Alternative technique for the constrained variational problem based on an asymptotic projection method: II. Applications to open-shell self-consistent field theory (V.N. Glushkov, N.I. Gidopoulos, and S. Wilson).- SU(m(_ Sukharev, and L. Lovett).- New Laser-Electron Nuclear Effects in the Nuclear g Transition Spectra in Atomic and Molecular Systems (S.V. Malinovskaya, A.V. Glushkov, and O.Yu. Khetselius).- QED approach to atoms in a laser field: Multi-photon resonances and above threshold ionization (A.V. Glushkov, O.Yu. K