Evan M. R. Petrimoulx, Aaron T. Bondy, Eric A. Ene, Lamies A. Sati, Gordon W.F. Drake
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引用次数: 0
Abstract
We report an improved variational upper bound for the ground state energy of H- using Hylleraas-like wave functions in the form of a triple basis set having three distinct distance scales. The extended precision DQFUN of Bailey, allowing for 70 decimal digit arithmetic, is implemented to retain sufficient precision. Our result exceeds the previous record [A. M. Frolov, Euro. J. Phys. D 69, 132 (2015)], indicating that the Hylleraas triple basis set exhibits comparable convergence to the widely used pseudorandom all-exponential basis sets, but the numerical stability against roundoff error is much better. It is argued that the three distance scales have a clear physical interpretation. The new variational bound is --0.527 751 016 544 377 196 590 814 478 a.u. New variational bounds are also presented for the finite mass cases of the hydrogen, deuterium and tritium negative ions H-, D- and T-.
期刊介绍:
The Canadian Journal of Physics publishes research articles, rapid communications, and review articles that report significant advances in research in physics, including atomic and molecular physics; condensed matter; elementary particles and fields; nuclear physics; gases, fluid dynamics, and plasmas; electromagnetism and optics; mathematical physics; interdisciplinary, classical, and applied physics; relativity and cosmology; physics education research; statistical mechanics and thermodynamics; quantum physics and quantum computing; gravitation and string theory; biophysics; aeronomy and space physics; and astrophysics.