Quantum Systems in Physics, Chemistry, and Biology: Advances in Concepts and Applications (Progress in Theoretical Chemistry and Physics Book 30)

This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology. In particular, it discusses atomic and molecular structure, dynamics and spectroscopy as well as applications of quantum theory to biological and condensed matter systems. The volume contains twenty-four selected, peer-reviewed contributions based on the presentations given at the Twentieth International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XX), held in Varna, Bulgaria, in September 2015. It is divided into five sections containing the most relevant papers written by leading experts in the fields. This book will appeal to advanced graduate students, researchers, and academics involved in theoretical, quantum or statistical and computational chemical physics and physical chemistry.--Résumé de l'éditeur Front Matter....Pages i-xxxix Front Matter....Pages 1-1 Towards the Inclusion of Dissipative Effects in Quantum Time-Dependent Mean-Field Theories....Pages 3-16 On the Ordering of Orbital Energies in the ROHF Method: Koopmans’ Theorem versus Aufbau Principle....Pages 17-37 Population Analyses Based on Ionic Partition of Overlap Distributions....Pages 39-63 Topological Quantum Computation with Non-Abelian Anyons in Fractional Quantum Hall States....Pages 65-74 Front Matter....Pages 75-94 Water Structuring at Non-Polar Fluid Interfaces....Pages 95-95 Molecular Design of Organometallic Materials: Effect of the Metallophilic Interactions, Ligand, Metal, and Oxidation State....Pages 97-118 Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metals and Semiconductors: A Review....Pages 119-138 Non-Linear Chaotic Dynamics of Quantum Systems: Molecules in an Electromagnetic Field and Laser Systems....Pages 139-158 Landau Quantisation of Electron Motion in the Crust of Highly Magnetised Neutron Stars....Pages 159-167 Front Matter....Pages 169-180 On the Inter-Ring Torsion Potential of 2,2′-Bithiophene: A Review of Open Problems and Current Proposals....Pages 181-191 Theoretical Exploration of the Vibrational Structure and IVR of S0 Thiophosgene at High Excitation Energies....Pages 193-193 Why is the “Donor-Acceptor” Stretching a sine qua non in Understanding the Vibrational Signatures of Ionic Hydrogen Bonds?....Pages 195-208 Relativistic Many-Body Perturbation Theory Calculations of the Hyperfine Structure and Oscillator Strength Parameters for Some Heavy Element Atoms and Ions....Pages 209-230 Effects of Isotope Characteristics on the Electron System Ground State Energy of Helium-Like Ions....Pages 231-249 Front Matter....Pages 251-269 Computational Study of Michellamines: Naphthylisoquinoline Alkaloids with Anti-HIV Activity....Pages 271-281 Integrated Computational Studies on Mutational Effects of a Nylon-Degrading Enzyme....Pages 283-300 Damage Induced by Proton Collisions on Building Blocks of Life....Pages 301-301 Front Matter....Pages 303-316 How Can the Green Sulfur Bacteria in the Depths of the Black Sea Use Quantum Computing for Light Harvesting?....Pages 317-330 Front Matter....Pages 331-339 The Dirac Operator in Quantum Chemistry and Physics....Pages 301-301 A Coherent Resonant Cosmology Approach and its Implications in Microphysics and Biophysics....Pages 341-358 The Origin and Evolution of Complex Enough Systems in Biology....Pages 359-359 Back Matter....Pages 361-374 ....Pages 375-407 This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology. In particular, it discusses atomic and molecular structure, dynamics and spectroscopy as well as applications of quantum theory to biological and condensed matter systems. The volume contains twenty-four selected, peer-reviewed contributions based on the presentations given at the Twentieth International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XX), held in Varna, Bulgaria, in September 2015. It is divided into five sections containing the most relevant papers written by leading experts in the fields. This book will appeal to advanced graduate students, researchers, and academics involved in theoretical, quantum or statistical and computational chemical physics and physical chemistry.--Résumé de l'éditeur