Research Article
A First-Principles-Based Potential for the Description of Alkaline Earth Metals
Table 2
Numerical values to four digits precision for the fitted Gupta potentials. All values in atomic units.
| Parameter | Be-Be | Be-Mg | Be-Ca | Mg-Mg | Mg-Ca | Ca-Ca |
| | 1.7943 | 2.1964 | 1.3955 | 2.7232 | 2.5646 | 0.8815 | | 4.2656 | 2.0473 | 3.5205 | 2.8024 | 2.0231 | 3.3835 | | 2.0323 | 1.4388 | 2.3759 | 1.8582 | 1.7852 | 3.9567 | | −0.4088 | 0.2066 | 0.0913 | −0.0221 | −0.1453 | −0.5749 | | 2.7536 | 1.1548 | 1.6065 | 0.7203 | 0.9789 | 2.8282 |
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