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中文
2024, Vol. 45(24): 110-116 DOI: 10.13884/j.1003-3807hxjy.2024050011
Opening the Hartree-Fock-Roothaan Equation Black Box via Computer Program: Single-Point Energy Calculation of H
2
O Molecule
CHEN Guang-Hui
**
, SU Tian-Ye, WANG Ying-Jie
College of Chemistry & Chemical Engineering,Shantou University,Shantou 515063,China
Received
2024-05-03
Revised
null
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