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Spectroscopic constants: definitions
Spectroscopic constants: values
The electronic states of AlF
The rovibrational energy levels of AlF
The measured rovibrational energy levels of AlF
Citing the AlF database
Simulation
Vibrational levels
Rotational levels
Thermal populations
Quantum chemistry predictions
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Quantum chemistry predictions
The initial electronic state
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a$^3\Pi$
b$^3\Sigma^+$
c$^3\Sigma^+$
Method
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MRCI
Basis set
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aug-cc-pV5Z
aug-cc-pV6Z
aug-cc-pVQZ
aug-cc-pVTZ
The final electronic state
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a$^3\Pi$
b$^3\Sigma^+$
c$^3\Sigma^+$
Method
---------
MRCI
Basis set
---------
aug-cc-pV5Z
aug-cc-pV6Z
aug-cc-pVQZ
aug-cc-pVTZ
The highest v state
Calculate
Xiangyue Liu, Sidney C. Wright,.... @ Fritz-Haber-Institut