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首页> 外文期刊>Hadronic Journal >COMPARISON BETWEEN THE EXACT THREE-BODY SANTILLI-SHILLADY APPROACH TO THE H2 MOLECULE AND THE STANDARDGROUND STATE ENERGY CURVE
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COMPARISON BETWEEN THE EXACT THREE-BODY SANTILLI-SHILLADY APPROACH TO THE H2 MOLECULE AND THE STANDARDGROUND STATE ENERGY CURVE

机译：精确的三体Santilli-Shillady方法与H2分子和标准态能量曲线的比较

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After the restricted three-body Santilli-Shillady model of the hydrogen molecule, we introduced a confined molecule approach that resulted in an exact solution allowing us to reproduce the potential energy curve of molecular hydrogen with a precision up to four significant digits, as compared with the one obtained by Kolos, Szalewics and Monkhorst (KSM curve). We showed that this exact solution of the restricted three-body H2 molecule describes with accuracy the behavior of the potential energy of a free molecule for a specific range of bond lengths between protons. In addition, we evaluated by means of a statistical test the importance of the size and shape of the confining spheroidal box. Our best estimate to molecular hydrogen energy was E = -1.1744840 au with box parameters ξ_0 =48.46714783 and R = 1.41847181 bohr, which coincided with the experimentally observed one up to the 5th digit; our bond length differed by 1.24% of the experimentally observed one.
机译：在氢分子的受限三体Santilli-Shillady模型之后，我们引入了受限分子方法，该方法产生了精确的解决方案，使我们能够以高达4个有效数字的精度重现分子氢的势能曲线。由Kolos，Szalewics和Monkhorst获得的数据（KSM曲线）。我们表明，这种受限的三体H2分子的精确解准确地描述了质子之间特定长度键长范围内自由分子势能的行为。另外，我们通过统计测试评估了封闭球形盒的大小和形状的重要性。我们对分子氢能的最佳估计是E = -1.1744840 au，框参数ξ_0= 48.46714783和R = 1.41847181 bohr，与实验观察到的直到5位数字一致。我们的键长相差1.24％。

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