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Updated: Feb 14, 2026

Microparticle Manipulation by Standing Surface Acoustic Waves with Dual-frequency Excitations
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興奮状態の静的極化性:CC3基準値,波動関数,およびTD-DFTベンチマーク

Carmelo Naim1, Robert Zaleśny2, Denis Jacquemin1,3

  • 1Nantes Université, CNRS, CEISAM UMR 6230, Nantes F-44000, France.

Journal of chemical theory and computation
|February 12, 2026
PubMed
まとめ

この研究は,有機分子に対する興奮状態の極化性を基準にしています. CCSDやCC2のようなカップリング・クラスター・メソッドは,最も正確な結果をもたらし,CC2は計算効率の良い代替手段である.

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