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

Engineering & Materials Science

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

Chemical Compounds

• Application 1%
• Chemical Transformation 3%
• Coupled Cluster Singles and Doubles Theory 7%
• Density Functional Theory 3%
• Dipole Moment 9%
• Displacement 8%
• Electron Correlation Energy 6%
• Energy 14%
• Fluctuation-Dissipation Theorem 10%
• Force 42%
• Ground State 4%
• Lagrangian 16%
• Molecular Cluster 3%
• Molecule 1%
• Nuclear Force 10%
• Orbital 4%
• Random Phase Approximation 100%
• Time 1%
• Transition Element 7%
• Vibrational Frequency 5%
• Weight 2%

Physics & Astronomy

• approximation 32%
• costs 3%
• density functional theory 3%
• dimers 8%
• dipole moments 8%
• dissipation 3%
• energy 9%
• functionals 4%
• gradients 12%
• ground state 3%
• harmonics 3%
• metal compounds 6%
• molecular properties 80%
• molecules 2%
• orbitals 3%
• performance 2%
• perturbation 3%
• quadratures 4%
• rings 3%
• scaling 3%
• theorems 4%
• transition metals 7%
• trends 3%