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On the application of extended precision arithmetic to quantum mechanical calculations
Author(s) -
Kravchenko Yu. P.,
Liberman M. A.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)62:6<593::aid-qua3>3.0.co;2-r
Subject(s) - arbitrary precision arithmetic , series (stratigraphy) , arithmetic , machine epsilon , field (mathematics) , quantum , computer science , hydrogen atom , double precision floating point format , mathematics , algorithm , physics , quantum mechanics , pure mathematics , computation , paleontology , group (periodic table) , biology
The computer arithmetic of extended precision has been successfully applied to the problem of a hydrogen atom in an external magnetic field. The solution of the problem was obtained in the analytical form as a double series in nonseparable coordinates. Quantitative results were obtained by direct numerical summation of the series using software‐emulated arithmetic of extended precision. Technical aspects of the numerical technique and its possible applications to other practical problems are discussed. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 62: 593–601, 1997