Analytic gradients for state-averaged multiconfiguration pair-density functional theory.
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D. Truhlar | L. Gagliardi | M. Hermes | Andrew M. Sand | Meagan S. Oakley | Thais R. Scott | A. Sand
暂无分享,去创建一个
D. Truhlar | L. Gagliardi | M. Hermes | Andrew M. Sand | Meagan S. Oakley | Thais R. Scott | A. Sand