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Preface; Contents; Contributors; Condensed Matter Theory; 1 Can the d-Orbital Splitting Unveil the Local Structure of Cu2+ Ions? Study on the K2ZnF4:Cu2+ Archetype; Introduction; Results and Discussion; Structural Correlations in Octahedral Jahn-Teller Transition-Metal Ions; Electronic Structure in JT Octahedral-Distorted Transition-Metal Ions; Conclusions; References; 2 Introducing the Inner Structure of the Magnetic Atom in the Interaction Between a Transition Metal Atom Impurity and a Metal Surface; Introduction; The Anderson Model Revisited; An Ionic Hamiltonian for d Electrons
Effective Exchange Coupling and Kondo TemperatureDiscussion and Conclusions; References; 3 Structural Effects on Electronic Properties of Selected Materials; Introduction; High-Tc Superconductors; Effect of Proximity to an Electronic Topological Transition (ETT); Organic Superconductors; Magnesium Diboride (MgB2); Alkali Metals Under Extreme Conditions; Graphene Under Strain; Conclusions; References; 4 Anomalous Magnetism and Superconductivity in Lanthanide Metals at Extreme Pressure; Introduction; Results and Discussion; References
5 Phonon Fingerprints on Low and High-Energy Spectrum of Cuprate SuperconductorsIntroduction; Low-Energy Kink in the Single-Particle Spectrum; The Mid-infrared Boson Scenario; The High-Energy Kink; The BS Phonon Softening; Conclusions; References; 6 Electrides and Their High-Pressure Chemistry; The Discovery of Electrides; The Effect of Core Electron and Anti-Wilson Phase Transition; Physical Form: Duality of Pseudoatoms and Multicenter Bonds; Pseudoatoms; Multicenter Bonds; The Novel Chemistry of Electrides; References
7 Electron Correlation Effects Reflected in Thermodynamic Properties of Light ActinidesReferences; 8 Equations of State for Solids Under Strong Compression with Fingerprints for Electronic Anomalies; Introduction; EOS for Regular Solids; Comparison of Different EOS Forms for Regular Solids; Effects of Electronic Anomalies on the EOS of Cerium; Effects of Electronic Anomalies on the EOS of Praseodymium; Inter-configuration-crossing at Strong Compression; Conclusions; References; 9 Band Gaps and Effective Oscillator Models for Solid Hydrogen and H2O Ice at High Pressure; Introduction
Theoretical BackgroundEffective Oscillator Model; Many-Body Perturbation Theory; Computational Details; Results and Discussion; Solid Hydrogen; H2O Ice; Conclusions; References; 10 Nonequilibrium Steady States and Electron Transport in Molecular Systems; Introduction; Quantum Electron Transport Formalism; Nonequilibrium Green's Function; Spectral Functions; Nonequilibrium Electron Density; Transmission; Electronic Hamiltonians; Summary; Atomic Configurations and Space Distribution of Mean-Fields in Nonequilibrium; The Nonequilibrium Variational Theory; Electron Transport in Carbon Chains
Effective Exchange Coupling and Kondo TemperatureDiscussion and Conclusions; References; 3 Structural Effects on Electronic Properties of Selected Materials; Introduction; High-Tc Superconductors; Effect of Proximity to an Electronic Topological Transition (ETT); Organic Superconductors; Magnesium Diboride (MgB2); Alkali Metals Under Extreme Conditions; Graphene Under Strain; Conclusions; References; 4 Anomalous Magnetism and Superconductivity in Lanthanide Metals at Extreme Pressure; Introduction; Results and Discussion; References
5 Phonon Fingerprints on Low and High-Energy Spectrum of Cuprate SuperconductorsIntroduction; Low-Energy Kink in the Single-Particle Spectrum; The Mid-infrared Boson Scenario; The High-Energy Kink; The BS Phonon Softening; Conclusions; References; 6 Electrides and Their High-Pressure Chemistry; The Discovery of Electrides; The Effect of Core Electron and Anti-Wilson Phase Transition; Physical Form: Duality of Pseudoatoms and Multicenter Bonds; Pseudoatoms; Multicenter Bonds; The Novel Chemistry of Electrides; References
7 Electron Correlation Effects Reflected in Thermodynamic Properties of Light ActinidesReferences; 8 Equations of State for Solids Under Strong Compression with Fingerprints for Electronic Anomalies; Introduction; EOS for Regular Solids; Comparison of Different EOS Forms for Regular Solids; Effects of Electronic Anomalies on the EOS of Cerium; Effects of Electronic Anomalies on the EOS of Praseodymium; Inter-configuration-crossing at Strong Compression; Conclusions; References; 9 Band Gaps and Effective Oscillator Models for Solid Hydrogen and H2O Ice at High Pressure; Introduction
Theoretical BackgroundEffective Oscillator Model; Many-Body Perturbation Theory; Computational Details; Results and Discussion; Solid Hydrogen; H2O Ice; Conclusions; References; 10 Nonequilibrium Steady States and Electron Transport in Molecular Systems; Introduction; Quantum Electron Transport Formalism; Nonequilibrium Green's Function; Spectral Functions; Nonequilibrium Electron Density; Transmission; Electronic Hamiltonians; Summary; Atomic Configurations and Space Distribution of Mean-Fields in Nonequilibrium; The Nonequilibrium Variational Theory; Electron Transport in Carbon Chains