Accuracy of the Heyd-Scuseria-Ernzerhof hybrid functional to describe many-electron interactions and charge localization in semiconductors

Ingeniería y ciencia de los materiales

• Defects 22%
• Diamonds 33%
• Electrons 100%
• Energy gap 37%
• Ground state 49%
• Materials science 40%
• Quantum chemistry 52%
• Semiconductor materials 88%
• Silicon 26%
• Silicon carbide 35%
• Vacancies 89%

Compuestos químicos

• Amount 21%
• Band Gap 37%
• Cubic Space Group 41%
• Diamond 47%
• Diffusion 61%
• Electron Particle 53%
• Electron Spin 41%
• Ground State 39%
• Quantum Chemistry 54%
• Semiconductor 75%
• Silicon Carbide 55%

Física y astronomía

• approximation 26%
• defects 27%
• diamonds 39%
• electron scattering 87%
• electrons 41%
• functionals 46%
• ground state 32%
• materials science 53%
• performance 21%
• quantum chemistry 61%
• silicon 26%
• silicon carbides 47%