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Density Functional Theory: Foundations and Applications
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Density Functional Theory
Covers the Density Functional Theory, including the Hartree-Fock method and the Kohn-Sham scheme.
Untitled
Semiconductor Devices II: Defects Engineering
Covers the analysis of measurements and defects engineering in semiconductor devices, including density of states and defect probing.
Quantum Chemistry: Energy Corrections
Covers the systematic approximation of energy corrections in quantum chemistry.
Understanding Electron Density
Explores electron density in chemistry, from atomic models to machine learning applications and implications for molecular properties and drug design.
Theoretical Foundations of DFT
Explores the Hohenberg-Kohn Theorems, electron density distributions, and the variational principle in DFT.
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Metal Carbonyls: Applications and Reactions
Discusses metal carbonyls and their applications in catalysis and chemical reactions, including the introduction of metal carbines and their significance in synthetic chemistry.
Quantum Chemistry Fundamentals
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Electrons beyond conductivity
Explores thermophysical properties of metallic elements and cohesive energy in crystals.