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Updated: Sep 10, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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ロテ法による多体系における時間依存のガウス基数集: 平均フィールド研究

Simon Elias Schrader1, Håkon Emil Kristiansen1, Thomas Bondo Pedersen1

  • 1Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway.

Journal of chemical theory and computation
|August 21, 2025
PubMed
まとめ

ハーモニック生成のような 強いフィールドのプロセスをモデル化することは 困難です ガウス基数集合によるロスの方法は,時間依存のハートリー・フォック (TDHF) と密度関数理論 (TDDFT) の計算に効率的な解決策を提供します.

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