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21 lines
989 B
Plaintext
21 lines
989 B
Plaintext
# Molecule : Dinitrogen
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# Comment : Absorption energies of the dinitrogen molecule
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# code : experimental
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# method : experimental.
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# geom : experimental
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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_abs
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1 1 A_1 1 1 \Pi_g 9.31
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1 1 A_1 1 1 \Sigma_u^- 9.92
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1 1 A_1 1 1 \Delta_u 10.27
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1 1 A_1 1 1 \Pi_u 12.78
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1 1 A_1 1 1 \Sigma_u^+ 12.96
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1 1 A_1 2 1 \Pi_u 13.1
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1 1 A_1 1 3 \Sigma_u^+ 7.75
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1 1 A_1 1 3 \Pi_g 8.04
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1 1 A_1 1 3 \Delta_u 8.88
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1 1 A_1 1 3 \Sigma_u^- 9.67
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