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quack/test/Rtest_ref.dat

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working on test
2023-11-11 16:16:57 +01:00
RHF energy
-85.160473883160876
ROHF energy
-85.160473714509976
introduce test in MP and RPA
2023-11-11 23:00:00 +01:00
RMP2 correlation energy
-0.128988144386404
phRRPA correlation energy
-0.138552809856833
phRRPAx correlation energy
-0.197284981952336
ppRRPA correlation energy
-0.092561239071529
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