使i-DMFTF2,Cl2Br2线

Di Liu1,2, Bing Yan2, Marinela Irimia3

  • 1School of Science, Huzhou University, Huzhou, Zhejiang 313000, China.

概括

新的i-DMFT方法准确地计算了F2,Cl2和Br2分子的潜在能量曲线,仅使用实验分离能量. 这种方法将所有电子关联起来,为分子研究提供了可靠的理论工具.

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