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Accuracy of XH-stretching intensities with the Deng–Fan potential
Emil Vogt
, Daniel S. Sage,
Henrik G. Kjaergaard
*
*
Corresponding author for this work
Department of Chemistry
4
Citations (Scopus)
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Keyphrases
Transition Frequency
100%
Stretching Intensity
100%
Matrix Elements
66%
Oscillator Strength
66%
Vibronic Transitions
33%
Aug-cc-pVTZ
33%
Dipole Moment Function
33%
CCSD(T)
33%
Potential Energy Surface
33%
Numerics
33%
Dipole Moment
33%
Transition Intensities
33%
Equilibrium Geometry
33%
Polynomial Degree
33%
Local Mode
33%
Stretching Vibration
33%
Single Point
33%
Absorption Intensity
33%
Sixth Order
33%
Engineering
Oscillator
100%
Dipole Moment
100%
Matrix Element
100%
Potential Energy
50%
Energy Surface
50%
Sixth Order
50%
One Dimensional
50%
Chemistry
Morse Potential
100%
Material Science
Surface Energy
100%