变分方法、多精度和非相对论能量
Variational methods, multiprecision and nonrelativistic energies
摘要:
众所周知,变分方法是研究库仑三体束缚态问题最有力的工具。然而,当基函数的数目增加时,它们经常遭受稳定性的损失。采用D.H.贝利本文考虑指数为复指数的exp(-a_nr_1- b_nr_2- g_nr_12)型变分基函数。该方法给出了氦原子和正氢离子以及许多其他已知原子和分子系统的基态的最佳可用能量。
英文摘要:
It is known that the variational methods are the most powerful tool for studying the Coulomb three-body bound state problem. However, they often suffer from loss of stability when the number of basis functions increases. This problem can be cured by applying the multiprecision package designed by D.H. Bailey. We consider the variational basis functions of the type exp(-a_n r_1 - b_n r_2 - g_n r_12) with complex exponents. The method yields the best available energies for the ground states of the helium atom and the positive hydrogen ion as well as many other known atomic and molecular systems.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。