Fragment-Based Restricted Active Space Configuration Interaction with Second-Order Corrections Embedded in Periodic Hartree-Fock Wave Function

Engineering & Materials Science

• Atoms 37%
• Crystals 35%
• Electronic structure 53%
• Fluorine 49%
• Lithium Fluoride 56%
• Potential energy surfaces 59%
• Time varying systems 41%
• Wave functions 100%

Chemistry

• Dissociation 51%
• Electronic State 26%
• Energy 17%
• Fluoride 29%
• Fluorine Atom 31%
• Periodic System 53%
• Perturbation Theory 41%
• Potential Energy Surface 34%
• Surface 22%
• Wave Function 84%

Physics & Astronomy

• atoms 9%
• configuration interaction 73%
• crystals 8%
• dissociation 29%
• electronic structure 13%
• embedding 18%
• energy 5%
• fluorine 18%
• fragments 61%
• lithium fluorides 23%
• performance 7%
• perturbation theory 15%
• potential energy 15%
• wave functions 56%