Electronic Temperature in Divide-and-Conquer Electronic Structure Calculation Revisited : Assessment and Improvement of Self-Consistent Field Convergence

Electronic Temperature in Divide-and-Conquer Electronic Structure Calculation Revisited : Assessment and Improvement of Self-Consistent Field Convergence
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重新审视分而治之电子结构计算中的电子温度:自洽场会聚的评估和改进

DOI:
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发表时间:
2009
期刊:
International Journal of Quantum Chemistry 109
影响因子:
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通讯作者:
H.Nakai
H.Nakai
中科院分区:
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文献类型:
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作者:
T.Akama;M.Kobayashi;H.Nakai

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