Quantum Systems in Physics, Chemistry, and Biology

Chapter 1 Towards the Inclusion of Dissipative Effects in Quantum Time-Dependent Mean-Field Theories

Chapter 2 On the Ordering of Orbital Energies in the ROHF Method: Koopmans’ Theorem versus Aufbau Principle

Chapter 3 Spin Effects in sp 2 Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory

Chapter 4 Population Analyses Based on Ionic Partition of Overlap Distributions

Chapter 5 Topological Quantum Computation with Non-Abelian Anyons in Fractional Quantum Hall States

Chapter 6 Rb $$_2$$ ( $$^3\Sigma ^+_u$$ ) Dimer Interacting with He Atoms: Quantum Structures of Small Clusters and Reactive Scattering Calculations Rb + RbHe $$\rightarrow $$ Rb $$_2$$ ( $$^3\Sigma ^+_u,v$$ ) + He at Ultralow and Intermediate Energies

Chapter 7 Water Structuring at Non-Polar Fluid Interfaces

Chapter 8 Molecular Design of Organometallic Materials: Effect of the Metallophilic Interactions, Ligand, Metal, and Oxidation State

Chapter 9 Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metals and Semiconductors: A Review

Chapter 10 Non-Linear Chaotic Dynamics of Quantum Systems: Molecules in an Electromagnetic Field and Laser Systems

Chapter 11 Landau Quantisation of Electron Motion in the Crust of Highly Magnetised Neutron Stars

Chapter 12 Electronic and Nuclear Dynamics for a Non-Equilibrium Electronic State: The Ultrafast Pumping of N 2

Chapter 13 On the Inter-Ring Torsion Potential of 2,2′-Bithiophene: A Review of Open Problems and Current Proposals

Chapter 14 Theoretical Exploration of the Vibrational Structure and IVR of S 0 Thiophosgene at High Excitation Energies

Chapter 15 Why is the “Donor-Acceptor” Stretching a sine qua non in Understanding the Vibrational Signatures of Ionic Hydrogen Bonds?

Chapter 16 Relativistic Many-Body Perturbation Theory Calculations of the Hyperfine Structure and Oscillator Strength Parameters for Some Heavy Element Atoms and Ions

Chapter 17 Effects of Isotope Characteristics on the Electron System Ground State Energy of Helium-Like Ions

Chapter 18 Computational Study of Michellamines: Naphthylisoquinoline Alkaloids with Anti-HIV Activity

Chapter 19 Integrated Computational Studies on Mutational Effects of a Nylon-Degrading Enzyme

Chapter 20 Damage Induced by Proton Collisions on Building Blocks of Life

Chapter 21 How Can the Green Sulfur Bacteria in the Depths of the Black Sea Use Quantum Computing for Light Harvesting?

Chapter 22 The Dirac Operator in Quantum Chemistry and Physics

Chapter 23 A Coherent Resonant Cosmology Approach and its Implications in Microphysics and Biophysics

Chapter 24 The Origin and Evolution of Complex Enough Systems in Biology