Keyphrases
Diffusion Monte Carlo
100%
3d Transition Metal
100%
Metal-containing
100%
Bond Dissociation Energy
100%
Pseudopotential
42%
Jastrow
42%
Wave Function
28%
Binding Energy
28%
Transition Metal Atoms
28%
Mean Error
28%
Monte Carlo Results
14%
Energy Difference
14%
Exchange-correlation Functionals
14%
DFT Calculations
14%
Monte Carlo Calculation
14%
Superconducting System
14%
Parametrization
14%
Energy Minimization
14%
CCSD(T)
14%
Photochemistry
14%
All-electron
14%
General Performance
14%
Transition Metal Surfaces
14%
Chemical Accuracy
14%
Linear Energy
14%
Yield Improvement
14%
Kilocalories
14%
Absolute Energy
14%
Variance Minimization
14%
DFT Functionals
14%
Energy Error
14%
DFT Results
14%
Transition Metal Compounds
14%
Molecule Hybrid
14%
QMEAN
14%
Engineering
Energy Engineering
100%
Mols
100%
Functionals
100%
Binding Energy
66%
Metal Atom
66%
Energy Difference
33%
Parametrization
33%
Energy Minimisation
33%
Energy Error
33%
Chemistry
Transition Element
100%
Diffusion Monte Carlo
100%
Dissociation Energy
100%
Density Functional Theory
50%
Pseudopotential
37%
Binding Energy
25%
Transition Metals
12%
Photochemistry
12%
Photochemical Reaction
12%
Energy Minimization
12%
Physics
Transition Element
100%
Transition Metal
100%
Diffusion Monte Carlo
100%
Pseudopotential
33%
Density Functional Theory
33%
Binding Energy
22%
Metal Surface
11%
Energy Minimization
11%
Photochemical Reaction
11%
DFT Calculations
11%
Chemical Engineering
Transition Metal
100%
Dimer
37%
Transition Metal Compounds
12%
Material Science
Transition Metal
100%
Catalysis
11%
Metal Surface
11%