mirror of
https://github.com/TREX-CoE/irpjast.git
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9 lines
10 KiB
Plaintext
9 lines
10 KiB
Plaintext
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0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 -0.42196640948466962 -0.79075325238342631 0.44345647262346882 2.5030849038448664 0.74109187422366019 -0.44474308148538494 -0.50297755956955692 0.79515835006728686 0.10981094171176968 -0.22979521953290835 0.96702415386597085 0.89366604078283918 0.25161353627334304 -0.19702290445950105 0.94756139826523400 0.49466802733789539 0.18665163378348479 -0.97491431324285716 0.12125695625474062 3.0368964050733327 2.9875067572744197E-002 -0.83476729703722574 -0.54979181526709564 3.2502452363855618 0.93171067135549812 -0.35009026970626916 9.6705883684907387E-002 1.3862021916895231 6.0769136445242920E-002 -0.13380564725118035 0.98914263926867108 0.85251166698759306 0.22447253969572437 -0.26209555156984887 0.93857232047927341 0.69214009615793626 0.42196640948466962 0.79075325238342631 -0.44345647262346882 2.5030849038448664 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.79300555830004782 -0.17537911431338002 -0.58342467445925172 0.72053164511851608 0.30598501464390782 6.1703761099345375E-002 0.95003463972613256 1.0498516549288879 0.36264723823872164 -4.4114267552150629E-002 0.93088179270848637 0.53548620172583594 0.85863147379228377 -1.9079809214050673E-002 -0.51223818004288402 3.7325335353816622 0.45149488796469023 0.15004788292994051 -0.87956693831111832 2.5397672986562831 0.98917844781237563 7.4546843616864367E-002 -0.12636758480821755 1.1765983040949490 0.23415894061126036 0.15517806894132116 0.95973400348818250 0.97622759684918936 0.38528104366413396 -4.9059643977173231E-002 0.92149425865054013 0.78166934467532156 -0.74109187422366019 0.44474308148538494 0.50297755956955692 0.79515835006728686 -0.79300555830004782 0.17537911431338002 0.58342467445925172 0.72053164511851608 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 -0.42144514084033030 0.15739240729471857 0.89309104988687882 0.52086307548765221 -0.16358072100279936 6.2217130629820594E-002 0.98456608532510215 0.38639220166297339 -0.77344084859494966 0.21171092914139181 0.59746777001509688 0.88845684014870785 -0.85761859942335195 0.28111195583538601 0.43065810825936179 0.92935176530575825 -0.32113016907242886 0.37906897523930694 0.86786066077598822 1.2357171277387970 -0.42420548762014137 0.19830190205828149 0.88358704150356671 0.49284789971213333 -0.29114961006329165 8.6546249347808593E-002 0.95275476975128293 0.47910973998963818 -0.10981094171176968 0.22979521953290835 -0.96702415386597085 0.89366604078283918 -0.30598501464390782 -6.1703761099345375E-002 -0.95003463972613256 1.0498516549288879 0.42144514084033030 -0.15739240729471857 -0.89309104988687882 0.52086307548765221 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.41516940541861336 -0.15191119122478614 0.89697121179278738 1.0761974820824998 -5.8719246265797810E-002 -6.1080734255323448E-002 -0.99640413187662324 0.95609626170394146 -9.0485336588858753E-002 2.4322914969609374E-004 -0.99589775815692128 0.79592822077837111 0.47689216782597510 3.9802001544943467E-003 -0.87895279638497781 0.86825285522869056 -0.37618062301353472 0.73044519270811636 0.57003329667551128 7.2911044660396449 0.55783228298288079 -0.336562037
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J_ee = -16.838861842439634
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J_en = -12.324578940426710
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J_een = -0.38258026017431723
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J = J_ee + J_en + J_een = -29.546021043040664
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\nabla_i J_een 4.2457365043315019E-003 2.0249066109833201E-002 6.4785231787319684E-003
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The total Jastrow factor
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1.4734184332559676E-013
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