Using an iterative eigensolver and intertwined rank reduction to compute vibrational spectra of molecules with more than a dozen atoms: Uracil and naphthalene
Using an iterative eigensolver and intertwined rank reduction to compute vibrational spectra of molecules with more than a dozen atoms: Uracil and naphthalene
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使用迭代本征解算器和交织的等级约简来计算具有十多个原子的分子的振动光谱:尿嘧啶和萘
DOI:
10.1063/1.5039147
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发表时间:
2018
期刊:
影响因子:
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通讯作者:
Schaefer, Henry F.
中科院分区:
文献类型:
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作者:
Thomas, Phillip S.;Carrington, Tucker;Agarwal, Jay;Schaefer, Henry F.