Calculation of the Zeeman Effect for Transition-Metal Complexes by Multiconfiguration Pair-Density Functional Theory

Engineering & Materials Science

• Spin orbit coupling 100%
• Metal complexes 77%
• Density functional theory 71%
• Transition metals 70%
• Ground state 47%
• Tensors 31%
• Molecules 31%
• Magnetic anisotropy 25%
• Wave functions 22%
• Paramagnetic resonance 21%
• Spectroscopy 17%

Chemical Compounds

• Zeeman Effect 72%
• Spin-Orbit Coupling 58%
• CASSCF Calculation 43%
• Transition Element 34%
• Inorganic Radical 27%
• Magnetic Anisotropy 20%
• Wave Function 18%
• Perturbation Theory 18%
• Intersystem Crossing [Singlet->triplet] 18%
• EPR Spectroscopy 13%
• Ground State 12%
• Molecule 11%
• Application 5%

Physics & Astronomy

• Zeeman effect 60%
• transition metals 39%
• density functional theory 36%
• orbits 20%
• configuration interaction 19%
• self consistent fields 19%
• tensors 14%
• ground state 12%
• molecules 10%
• functionals 8%
• electron paramagnetic resonance 8%
• perturbation theory 8%
• wave functions 7%
• formulations 6%
• anisotropy 6%
• configurations 5%
• spectroscopy 4%
• electronics 4%
• interactions 3%