Keyphrases
Transition Metal Atoms
100%
Density Functional
100%
Generalized Gradient Approximation
100%
Ionization State
100%
4d Transition Metal
100%
Range-separated Hybrid
42%
Global Hybrid
28%
Non-separable
28%
Gradient Approximation
28%
Occupancy
14%
Density Functional Theory
14%
Energy Solutions
14%
D-orbital
14%
Correlation Function
14%
Excitation Energy
14%
Low Spin
14%
Spin State
14%
Higher Spin
14%
Hartree-Fock Exchange
14%
Local Spin Density Approximation
14%
Stable Solutions
14%
Molecular Mechanics
14%
Ionization Potential
14%
Relative Energy
14%
Hartree-Fock Method
14%
First Excited State
14%
Spatial Symmetry
14%
Neutral Atoms
14%
Spin-flip Transitions
14%
Spin Splitting
14%
Spin Contamination
14%
Spin Bias
14%
Hartree-Fock Calculations
14%
Succeeding
14%
Density Functional Approximations
14%
Chemistry
Metal Atom
100%
Generalized Gradient Approximation
100%
Transition Metal
100%
Excited State
14%
Hartree-Fock Calculation
14%
Ground State
14%
Spin State
14%
Ionization Potential
14%
Hartree-Fock Method
14%
Spin Splitting
14%
Molecular Mechanic
14%
Density Functional Theory
14%
Engineering
Generalized Gradient Approximation
100%
Metal Atom
100%
Multiplicity
100%
Great Importance
14%
Excitation Energy
14%
Molecular Mechanics
14%
Functionals
14%
Local Spin Density Approximation
14%
Excited State
14%
Ground State
14%
Ionization Potential
14%
Physics
Transition Metal
100%
Generalized Gradient Approximation
100%
Black Hole Spin-Flip
14%
Neutral Atom
14%
Ground State
14%
Density Functional Theory
14%
Ionization Potential
14%