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Add fluorescence data for formaldehyde
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static/data/fluo/formaldehyde_CC3_aug-cc-pVTZ.dat
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static/data/fluo/formaldehyde_CC3_aug-cc-pVTZ.dat
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# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : Dalton
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# method : CC3,aug-cc-pVTZ
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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1 1 A_1 1 1 A'' 2.84
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static/data/fluo/formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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static/data/fluo/formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
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# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : MRCC
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# method : CCSDTQ,aug-cc-pVDZ
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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1 1 A_1 1 1 A'' 2.86
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static/data/fluo/formaldehyde_CCSDT_aug-cc-pVTZ.dat
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static/data/fluo/formaldehyde_CCSDT_aug-cc-pVTZ.dat
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# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : MRCC
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# method : CCSDT,aug-cc-pVTZ
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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1 1 A_1 1 1 A'' 2.82
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static/data/fluo/formaldehyde_Exp.$^a$_Litt..dat
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static/data/fluo/formaldehyde_Exp.$^a$_Litt..dat
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# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : MRCC
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# method : Exp.$^a$,Litt.
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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static/data/fluo/formaldehyde_Th.$^b$_Litt..dat
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static/data/fluo/formaldehyde_Th.$^b$_Litt..dat
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# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : MRCC
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# method : Th.$^b$,Litt.
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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static/data/fluo/formaldehyde_Th.$^c$_Litt..dat
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static/data/fluo/formaldehyde_Th.$^c$_Litt..dat
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# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : MRCC
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# method : Th.$^c$,Litt.
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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static/data/fluo/formaldehyde_exFCI_aug-cc-pVDZ.dat
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static/data/fluo/formaldehyde_exFCI_aug-cc-pVDZ.dat
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# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : MRCC
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# method : exFCI,aug-cc-pVDZ
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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1 1 A_1 1 1 A'' 2.86
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static/data/fluo/formaldehyde_exFCI_aug-cc-pVTZ.dat
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static/data/fluo/formaldehyde_exFCI_aug-cc-pVTZ.dat
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# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : MRCC
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# method : exFCI,aug-cc-pVTZ
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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1 1 A_1 1 1 A'' 2.8
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