Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation

Keyphrases

• Proton 100%
• Density Matrix 100%
• Matrix Formulation 100%
• Orbital Approach 100%
• Nuclear-electronic Orbital 100%
• Nuclear Electronics 75%
• Explicitly Correlated 75%
• Total Energy 50%
• Electronic Wave Functions 50%
• Wave Function 50%
• Hartree-Fock 50%
• Matrix Representation 50%
• High-order 25%
• Density Functional Theory 25%
• One-particle 25%
• Ansatz 25%
• Self-consistency 25%
• Electronic System 25%
• Particle Density 25%
• Multireference 25%
• Two-particle 25%
• Closed Shell 25%
• Atomic Orbitals 25%
• Energy Matrix 25%
• Open-shell 25%
• Geminal 25%
• Computational Expense 25%
• Fock Matrix 25%
• Hartree-Fock Method 25%
• Hartree-Fock-Roothaan 25%
• Explicit Dependence 25%
• Multielectron 25%

Chemistry

• Density Matrix 100%
• electronics 100%
• Wave Function 50%
• Gaussian Distribution 12%
• Particle Density 12%
• Atomic Orbital 12%
• Hartree-Fock Method 12%
• Density Functional Theory 12%

Physics

• Wave Function 100%
• Gaussian Distribution 25%
• Density Functional Theory 25%