Frontiers in Quantum Methods and Applications in Chemistry and Physics: Selected Proceedings of Qscp-XVIII (Paraty, Brazil, December, 2013)

ISBN-13: 9783319356471 / Angielski / Miękka / 2016 / 289 str.

Marco Antonio Nascimento; Jean Maruani; Erkki J. Brandas

Opis

This edited, multi-author volume contains 14 selected, peer-reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.

Spis treści

The Importance of Orbital Analysis.- A General Geometric Representation of Sphere-Sphere Interactions.- Understanding the Electronic Structure Properties of Bare Silver Clusters as Models for Plasmonic Excitation.- Optimized Perturbation Theory for Calculating the Hyperfine Line Shift and Broadening of Heavy Atoms in a Buffer Gas.- Proton Quantum Confinement on Symmetric Dimers of Ammonia and Lower Amine Homologs.- Ab-initio and DFT Study of the Muchimangin-B Molecule.- Molecular Dynamics Analysis of FAAH Complexed with Anand-amide.- Intense Field Molecular Photodissociation: The Adiabatic Views.- Photoionization Spectra and Ionization Potentials of Energetic Mole-cules.- Theoretical Study of Coherent p-electron Rotations in a Nonplanar Chiral Aromatic Molecule Induced by Ultrafast Linearly Polarized UV Pulses.- Full Quantum Calculations of the Diffusion Rate of Adsorbates.- Relativistic Quantum Chemistry: An Advanced Approach to the Construction of the Green Function of the Dirac Equation with Complex Energy and Mean-Field Nuclear Potential.- Spacetime-Based Foundation of Quantum Mechanics and General Relativity.- A Zero-Energy Universe Scenario: from Unstable Chemical States to Biological Evolution and Cosmological Order.