A First-Principles-Based Potential for the Description of Alkaline Earth Metals

Quality of the fit for all alkaline earth interactions. Distance regime <svg height="10.925" id="M20" style="vertical-align:-3.13504pt" version="1.1" viewbox="0 0 23.025 10.925" width="23.025" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,10.925)">
<g transform="translate(72,-63.26)">
<text transform="matrix(1,0,0,-1,-71.95,66.44)">
<tspan style="font-size: 12.50px; " x="0" y="0">𝑟</tspan>
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<text transform="matrix(1,0,0,-1,-66.85,63.31)">
<tspan style="font-size: 8.75px; " x="0" y="0">𝐴</tspan>
<tspan style="font-size: 8.75px; " x="6.2751842" y="0">𝐵</tspan>
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</g>
</g>
</svg> in Å and absolute and average deviation in kJ/mol. Absolute deviation includes weights; average deviation is weight-free.

Journal of Atomic and Molecular Physics

tab1

Table 1

Table 1: A First-Principles-Based Potential for the Description of Alkaline Earth Metals 