mirror of
https://github.com/pfloos/quack
synced 2024-06-02 03:15:33 +02:00
19 lines
374 B
Plaintext
19 lines
374 B
Plaintext
RHF energy
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-85.160473883160876
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RHF HOMO energy
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-0.501365804897693
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RHF LUMO energy
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0.203278954950938
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RHF dipole moment
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0.611349538338893
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ROHF energy
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-85.160473714509976
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RMP2 correlation energy
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-0.128988144386404
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phRRPA correlation energy
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-0.138552809856833
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phRRPAx correlation energy
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-0.197284981952336
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ppRRPA correlation energy
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-0.092561239071529
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