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Efficient and accurate linear algebraic methods for large-scale electronic structure calculations with nonorthogonal atomic orbitals 期刊论文
Physical Review B, 2011, 卷号: 83, 期号: 16, 页码: 165103
作者:  Teng H;  Fujiwara T;  Hoshi T;  Sogabe T;  Zhang SL;  Yamamoto S;  Teng, H (reprint author), Chinese Acad Sci, Inst Mech, Beijing 100080, Peoples R China
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Molecular-dynamics  Simulations  Systems