OALib Journal期刊
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密度泛函理论处理激发态与多重态结构研究进展
Keywords: 密度泛函理论,激发态,多重态结构
Abstract:
用密度泛函理论处理分子激发态和电子多重态结构是密度泛函理论发展的重要方面,研究工作一直很活跃。本文对近年来在这一领域取得的重要进展作简要的综述。
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