Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme

Physics & Astronomy

• functionals 62%
• density functional theory 51%
• gradients 43%
• augmentation 40%
• approximation 35%
• excitation 32%
• valence 24%
• atomizing 19%
• photochemical reactions 19%
• retaining 18%
• ground state 11%
• energy 9%
• spectroscopy 8%

Engineering & Materials Science

• Density functional theory 100%
• Rydberg states 50%
• Photochemical reactions 39%
• Excitation energy 37%
• Ground state 33%
• Atomization 25%
• Spectroscopy 24%

Chemical Compounds

• Density Functional Theory 41%
• Valence 39%
• Rydberg State 33%
• Enthalpy of Atomization 31%
• Photochemical Reaction 20%
• Ground State 17%
• Spectroscopy 14%
• Energy 10%
• Application 7%