Prediction for the singlet-triplet excitation energy for the spinel MgTi2 O4 using first-principles diffusion Monte Carlo

Keyphrases

• Diffusion Monte Carlo 100%
• Experimental Confirmation 50%
• First-principles 100%
• Fitting Approach 50%
• Heisenberg Model 50%
• High Energy 50%
• Low Temperature 50%
• MgTi2O4 100%
• Model Fitting 50%
• Quantum Monte Carlo 50%
• Singlet-triplet Energy Gap 100%
• Singlet-triplet Gap 50%
• Singlet-triplet Splitting 50%
• Spin Singlet 50%
• Spinel 100%

Chemistry

• Diffusion Monte Carlo 100%
• dimer 100%
• First Principle 100%
• Heisenberg Model 33%
• Singlet-Triplet Transition 33%