Analytical first-order molecular properties and forces within the adiabatic connection random phase approximation

Engineering & Materials Science

• Dipole moment 98%
• Dimers 93%
• Transition metal compounds 65%
• Derivatives 51%
• Metal complexes 50%
• Vibrational spectra 49%
• Ground state 46%
• Density functional theory 46%
• Transition metals 45%
• Molecules 30%
• Costs 11%

Chemical Compounds

• Random Phase Approximation 100%
• Force 42%
• Lagrangian 16%
• Energy 14%
• Nuclear Force 10%
• Fluctuation-Dissipation Theorem 10%
• Dipole Moment 9%
• Displacement 8%
• Transition Element 7%
• Coupled Cluster Singles and Doubles Theory 7%
• Electron Correlation Energy 6%
• Vibrational Frequency 5%

Physics & Astronomy

• molecular properties 80%
• approximation 32%
• gradients 12%
• energy 9%
• dimers 8%
• dipole moments 8%
• transition metals 7%
• metal compounds 6%