Transition metals Adsorption 1 Adsorption energies 1 Density (optical) 1 Density functional theory 1 Density matrix renormalization group 1 Density-functional-theory 1 Errors 1 Extended Hubbard model 1 Hubbard model 1 Kinetic energy 1 Kinetics 1 Local spin density approximation 1 Metal ions 1 Molecules 1 Numerical methods 1 Orbitals 1 Perdew-burke-ernzerhof 1 Phase space methods 1 Quantum phase 1 Quantum simulators 1 Quantum theory 1 Self-interaction corrections 1 Self-interaction error 1 Self-interactions 1 Simplest model systems 1 Small molecules 1 Spin density waves 1 State based 1 Statistical mechanics 1