November 20, 2024 Dataset Open Access

Ramakrishna, Kushal; Lokamani, Mani; Cangi, Attila

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{
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "url": "https://rodare.hzdr.de/record/3276", 
  "datePublished": "2024-11-20", 
  "@context": "https://schema.org/", 
  "name": "Data publication: Electrical conductivity of warm dense hydrogen from ohm's law and time-dependent density functional theory", 
  "creator": [
    {
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0003-4211-2484", 
      "name": "Ramakrishna, Kushal"
    }, 
    {
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0001-8679-5905", 
      "name": "Lokamani, Mani"
    }, 
    {
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0001-9162-262X", 
      "name": "Cangi, Attila"
    }
  ], 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-39947"
  ], 
  "identifier": "https://doi.org/10.14278/rodare.3276", 
  "@type": "Dataset", 
  "@id": "https://doi.org/10.14278/rodare.3276", 
  "distribution": [
    {
      "@type": "DataDownload", 
      "contentUrl": "https://rodare.hzdr.de/api/files/383bc4eb-1371-4322-840d-59a0f63719ad/Hydrogen_cond_data.zip", 
      "fileFormat": "zip"
    }
  ], 
  "keywords": [
    "Density functional theory", 
    "Time-dependent density functional theory", 
    "Transport properties"
  ], 
  "description": "<p>Understanding the electrical conductivity of warm dense hydrogen is critical for both fundamental physics and applications in planetary science and inertial confinement fusion. We demonstrate how to calculate the electrical conductivity using the continuum form of Ohm&#39;s law, with the current density obtained from real-time time-dependent density functional theory. This approach simulates the dynamic response of hydrogen under warm dense matter conditions, with temperatures around 30000&thinsp;K and mass densities ranging from 0.02 to 0.98&thinsp;gcc. We systematically address finite-size errors in real-time time-dependent density functional theory, demonstrating that our calculations are both numerically feasible and reliable. Our results show good agreement with other approaches, highlighting the effectiveness of this method for modeling electronic transport properties from ambient to extreme conditions.</p>"
}