QuAcK/examples/molecule.He

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# nAt nEla nElb nCore nRyd
  1   1     1   0     0
# Znuc   x            y           z
  He      0.0          0.0         0.0
UHF is working 2019-03-19 11:21:34 +01:00			`# nAt nEla nElb nCore nRyd`
slow CIS(D) correction (in spinorbital basis) 2020-10-01 23:05:23 +02:00			`1 1 1 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
			`He 0.0 0.0 0.0`