Huzinaga projection embedding for efficient and accurate energies of systems with localized spin-densities

Keyphrases

• Spin Density 100%
• Localized Spins 100%
• Open-shell 100%
• Wave Function 40%
• Embedding Method 40%
• Full System 40%
• Density Functional Theory 20%
• Electronic Energy 20%
• Energy Catalysis 20%
• Spin Transition 20%
• Kohn-Sham Density Functional Theory 20%
• Projection Method 20%
• Closed Shell 20%
• Transition Energy 20%
• Radical Reactions 20%
• Wavefunction Methods 20%
• Localized Reaction 20%
• Open-shell Species 20%
• Level Shift 20%
• Projection Operator 20%
• Spin Splitting 20%
• Splitting Energies 20%
• Shell Density 20%

Chemistry

• Wave Function 100%
• Density Functional Theory 66%
• Transition Metal 66%
• Spin Transition 33%
• Radical Reaction 33%
• Spin Splitting 33%
• electronics 33%

Physics

• Wave Function 100%
• Transition Metal 66%
• Density Functional Theory 66%