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The spectroscopic constants
The electronic states of AlF
The rovibrational energy levels of AlF
Citing the AlF database
Simulation
Vibrational states
Rotational states
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, Nicole Walter, Boris G. Sartakov, Sidney C. Wright,.... @ Fritz-Haber-Institut
