Ground-state energies for helium, H-, and Ps- -: art. no. 054501
Ground-state energies for helium, H-, and Ps- -: art. no. 054501
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DOI：
10.1103/physreva.65.054501
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发表时间：
2002-05-01
影响因子：
2.9
通讯作者：
Nistor, RA
中科院分区：
文献类型：
--
作者：
Drake, GWF;Cassar, MM;Nistor, RA
Hylleraas 坐标中的三重基组用于获得 He、H- 和 Ps(-) 的非相对论能量和其他属性的改进变分界。精度、数值稳定性和计算效率与最近基于拟随机基组的工作进行了比较。加藤尖点条件用于评估短距离波函数的准确性。
A triple basis set in Hylleraas coordinates is used to obtain improved variational bounds for the nonrelativistic energy and other properties of He, H-, and Ps(-). The accuracy, numerical stability, and computational efficiency are compared with recent work based on quasirandom basis sets. The Kato cusp conditions are used to assess the accuracy of the wave functions at short distances.