PTEROSOR/QuAcK
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QuAcK/mol/N2.xyz

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additional geometries
2024-01-18 22:31:16 +01:00
2
implement 1RDM and 2RDM for pCCD
2024-08-16 19:05:11 +02:00
N 0.0000 0.0000 -0.5475132
N 0.0000 0.0000 0.5475132
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