Keyphrases
Pair Density Functional Theory
100%
Multi-configuration
100%
Analytic Gradients
100%
Complete Active Space Self-consistent Field (CASSCF)
75%
Perturbation Theory
50%
Wave Function
50%
Photochemistry
25%
Configuration Interaction
25%
Potential Energy Surface
25%
Stationary Point
25%
Spectroscopic Observations
25%
Quantitative Accuracy
25%
UV-VIS Spectroscopy
25%
Excited Electronic States
25%
Efficient Calculation
25%
Direct Dynamics Simulations
25%
Complete Active Space
25%
Excited State Geometry
25%
Chemistry
Density Functional Theory
100%
CASSCF Calculation
100%
Wave Function
66%
UV/VIS Spectroscopy
33%
Excited State
33%
Energetics
33%
Configuration Interaction
33%
k·p perturbation theory
33%
Potential Energy Surface
33%
Excited Electronic State
33%
Complete Active Space Perturbation Theory
33%
Spectroscopy
33%
Perturbation Theory
33%
Photochemical Reaction
33%