2023-11-11 23:00:00 +01:00
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GHF energy
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2023-11-11 16:16:57 +01:00
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-85.160473883160876
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2023-11-12 23:02:20 +01:00
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GHF HOMO energy
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-0.501365804897696
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GHF LUMO energy
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0.203278954950924
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GHF dipole moment
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0.714967673390535
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2023-11-11 23:00:00 +01:00
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GMP2 correlation energy
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-0.128988144318866
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phGRPA corrlation energy
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-0.138552809810392
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phGRPAx correlation energy
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-0.368057033788489
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ppGRPA correlation energy
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-0.092561239023951
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2023-11-13 16:15:15 +01:00
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GG0F2 correlation energy
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-0.139599095383592
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GG0F2 HOMO energy
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-0.398113441401304
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GG0F2 LUMO energy
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0.189499108558060
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evGGF2 correlation energy
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-0.143423802624327
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evGGF2 HOMO energy
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-0.374883361361466
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evGGF2 LUMO energy
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0.188029526841004
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