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Updated: Feb 21, 2026

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多構成のエレンフェストダイナミクスの最適初期条件サンプリング

Thies Romig1, Francesco Montorsi2, Francesco Segatta2

  • 1Institut für Physik, Universität Rostock, Albert-Einstein-Str. 23-24, 18059 Rostock, Germany.

The Journal of chemical physics
|February 19, 2026
PubMed
まとめ

多構成エレンフェスト (MCE) 方法は,軌道を用いて量子力学をシミュレートします. 初期条件のための立方格子戦略は,非アディアバティックな移行に対して普遍的に有効であることが証明されています.

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