Challenges in Multireference Perturbation Theory for the Calculations of the g-Tensor of First-Row Transition-Metal Complexes

Engineering & Materials Science

• Metal complexes 100%
• Transition metals 90%
• Wave functions 85%
• Density functional theory 61%
• Tensors 61%
• Spin orbit coupling 42%
• Solvation 32%
• Relativity 28%
• Ligands 27%
• Metals 26%
• Hamiltonians 24%
• Experiments 21%
• Linear regression 20%
• Electrons 20%

Physics & Astronomy

• perturbation theory 51%
• transition metals 51%
• tensors 46%
• self consistent fields 41%
• wave functions 24%
• regression coefficients 15%
• density functional theory 15%
• N electrons 14%
• orbitals 14%
• shift 12%
• solvation 11%
• metals 10%
• ligands 10%
• relativity 9%
• inclusions 8%
• trends 7%
• valence 7%
• orbits 7%
• scalars 7%
• perturbation 6%
• matrices 5%
• configurations 5%
• energy 3%

Chemical Compounds

• CASSCF Calculation 83%
• Perturbation Theory 71%
• Transition Element 44%
• Wave Function 36%
• Relativity 24%
• Density Functional Theory 19%
• Spin-Orbit Coupling 18%
• Wave 14%
• Valence 13%
• Solvation 13%
• Orbital 12%
• Error 11%
• Energy 7%