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https://github.com/TREX-CoE/irpjast.git
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4149 lines
118 KiB
Plaintext
4149 lines
118 KiB
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a 0.64113707355233107
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.64113707355233107
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.64113707355233107
|
||
|
|
a 0.41105674708324719
|
||
|
|
a 0.64113707355233107
|
||
|
|
a 0.41105674708324719
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 5.0995931146048418E-002
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 5.0995931146048418E-002
|
||
|
|
a 0.22582278703897093
|
||
|
|
a 5.0995931146048418E-002
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 3.3416151660157059E-002
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 3.3416151660157059E-002
|
||
|
|
a 0.18280085246014871
|
||
|
|
a 3.3416151660157059E-002
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 2.0177359361335072E-002
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 2.0177359361335072E-002
|
||
|
|
a 0.14204703221586529
|
||
|
|
a 2.0177359361335072E-002
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 2.6247027218543224E-002
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 2.6247027218543224E-002
|
||
|
|
a 0.16200934299769018
|
||
|
|
a 2.6247027218543224E-002
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 0.33360469115006175
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 1.0000000000000000
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 0.33360469115006175
|
||
|
|
a 0.57758522414450819
|
||
|
|
a 0.33360469115006175
|
||
|
|
J_ee = -16.838861842439634
|
||
|
|
J_en = -12.324578940426710
|
||
|
|
J_een = 1.4478806826380817
|
||
|
|
J_enn_naive = -0.38258026017432034
|
||
|
|
J_enn_prog = 0.45787699142151483
|
||
|
|
J = J_ee + J_en + J_een = -27.715560100228263
|
||
|
|
The total Jastrow factor
|
||
|
|
9.1893583060869545E-013
|