Localized Hartree product treatment of multiple protons in the nuclear-electronic orbital framework

Keyphrases

• Proton 100%
• Hartree 100%
• Nuclear-electronic Orbital 100%
• Nuclear Exchange 80%
• Molecular Systems 60%
• Exchange Interaction 60%
• Multiple Quantum Wells 40%
• Computational Efficiency 40%
• Interaction Terms 40%
• Approximation Methods 40%
• Product Approximation 40%
• Density Functional Theory 20%
• Wave Function 20%
• Computational Savings 20%
• Parallelizable 20%
• Hartree-Fock 20%
• Self-interaction 20%
• Slater Determinant 20%
• Molecular Orbital 20%
• Exchange-correlation Functionals 20%
• Kohn-Sham Orbitals 20%
• Water Hexamer 20%
• Explicitly Correlated 20%
• Hydrogen nuclei 20%
• Nuclear Orbital 20%
• Nuclear Self 20%
• Water Clusters 20%
• Insignificance 20%
• Glycine Dimer 20%

Physics

• Wave Function 100%
• Density Functional Theory 100%
• Hydrogen 100%
• Amino Acid 100%

Chemistry

• electronics 100%
• Exchange Interaction 60%
• Molecular Orbital 20%
• Nuclear Wave Function 20%
• dimer 20%
• Amino Acid 20%
• Density Functional Theory 20%
• Hydrogen 20%