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Analytic approximations to the momentum moments of neutral atoms
Author(s) -
Thakkar Ajit J.,
Koga Toshikatsu
Publication year - 1992
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/qua.560440825
Subject(s) - momentum (technical analysis) , angular momentum , square root , atomic physics , dirac (video compression format) , function (biology) , simple (philosophy) , quantum mechanics , atom (system on chip) , physics , mathematics , chemistry , geometry , finance , evolutionary biology , computer science , neutrino , economics , biology , embedded system , philosophy , epistemology
Simple analytic approximations to the moments of electronic momentum 〈 p k 〉 ( k = ‐2, ‐1, 1, 2, 3, 4) of the neutral atoms from hydrogen through uranium are presented. These approximations are generated by using Thomas‐Fermi‐Dirac‐Scott and hydrogenic results to guess suitable functional forms, and then fitting the latter to tabulated Hartree‐Fock ( HF ) moments. The root mean square (rms) percent errors of our best functions for 〈 p k 〉 with k > 1 are less than 0.6%. The best functions for 〈 p 〉 and 〈 p −1 〉 have a rms percent error of less than 2%. The 〈 p −2 〉 moments exhibit very strong shell structure, and our best function has a rms percent error as large as12%. © 1992 John Wiley & Sons, Inc.