() Eigenstate.

Hannes Hoppe1, Uwe Manthe1

  • 1Theoretische Chemie, Fakultät für Chemie, Universität Bielefeld, Universitätsstr. 25, D-33615 Bielefeld, Germany.

PubMed
概括

一种新的状态平均多配置时间依赖的哈特树 (MCTDH) 方法提高了计算效率,用于计算分子固有状态. 这种方法显著减少了数量上的努力,并改善了复杂系统 (如甲基和酸) 的融合.

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