{
  "annotation_id": "92a67ec3-9985-4ed2-a0d8-38d0a17fd534",
  "date_created": "2026-03-02T18:01:21.745000Z",
  "date_modified": "2026-03-02T18:01:21.745000Z",
  "file_hash": "5c31531b9c1dd8d5872041ca4a47ae018334ebcfe76b76db48eec12ada23012c",
  "private": false,
  "record": {
    "abstract": "The electronic structure of the hydrogen molecule in a magnetic field is\ninvestigated for parallel internuclear and magnetic field axes. The lowest\nstates of the $\\Pi$ manifold are studied for spin singlet and triplet$(M_s =\n-1) $ as well as gerade and ungerade parity for a broad range of field\nstrengths $0 \\leq B \\leq 100 a.u.$ For both states with gerade parity we\nobserve a monotonous decrease in the dissociation energy with increasing field\nstrength up to $B = 0.1 a.u.$ and metastable states with respect to the\ndissociation into two H atoms occur for a certain range of field strengths. For\nboth states with ungerade parity we observe a strong increase in the\ndissociation energy with increasing field strength above some critical field\nstrength $B_c$. As a major result we determine the transition field strengths\nfor the crossings among the lowest $^1\\Sigma_g$, $^3\\Sigma_u$ and $^3\\Pi_u$\nstates. The global ground state for $B \\lesssim 0.18 a.u.$ is the strongly\nbound $^1\\Sigma_g$ state. The crossings of the $^1\\Sigma_g$ with the\n$^3\\Sigma_u$ and $^3\\Pi_u$ state occur at $B \\approx 0.18$ and $B \\approx0.39\na.u.$, respectively. The transition between the $^3\\Sigma_u$ and $^3\\Pi_u$\nstate occurs at $B \\approx 12.3 a.u.$ Therefore, the global ground state of the\nhydrogen molecule for the parallel configuration is the unbound $^3\\Sigma_u$\nstate for $0.18 \\lesssim B \\lesssim 12.3 a.u.$ The ground state for $B \\gtrsim\n12.3 a.u.$ is the strongly bound $^3\\Pi_u$ state. This result is of great\nrelevance to the chemistry in the atmospheres of magnetic white dwarfs and\nneutron stars.",
    "arxiv_id": "physics/9711003",
    "authors": [
      "T. Detmer",
      "P. Schmelcher",
      "L. S. Cederbaum"
    ],
    "categories": [
      "physics.chem-ph"
    ],
    "doi": "10.1103/PhysRevA.57.1767",
    "title": "Hydrogen molecule in a magnetic field: The lowest states of the Pi   manifold and the global ground state of the parallel configuration",
    "url": "https://arxiv.org/abs/physics/9711003"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "1e2c0cc0-833d-4513-b1a8-c9b49221123a",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}