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F TD2000 GEO INDUSTRY B012 / closed shell roothaan hartree fock self consistent orbital energy ledger

Recover a complete stationary restricted electronic mean-field artifact from explicit overlap and interaction tensors.

POST https://detect.halowerk.com/v1/F-TD2000-GEO-INDUSTRY-B012/closed-shell-roothaan-hartree-fock-self-consistent-orbital-energy-ledger

Eingaben

Felder des veröffentlichten Eingabeschemas
FeldTypPflichtBeschreibung
artifactobjectJa
Vollständiges Eingabeschema anzeigen
{
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  "additionalProperties": false,
  "required": [
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  ],
  "properties": {
    "artifact": {
      "type": "object",
      "additionalProperties": false,
      "required": [
        "hartreeFock"
      ],
      "properties": {
        "hartreeFock": {
          "type": "object",
          "additionalProperties": false,
          "required": [
            "data",
            "claim"
          ],
          "properties": {
            "data": {
              "type": "object",
              "additionalProperties": false,
              "required": [
                "overlap_matrix",
                "core_hamiltonian",
                "electron_repulsion_integrals",
                "electron_count",
                "nuclear_repulsion_energy"
              ],
              "properties": {
                "overlap_matrix": {
                  "type": "array",
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                },
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                }
              }
            },
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          }
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}

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