Premium
A simple non‐exponential function for use in atomic and molecular wave functions for use in atomic and molecular wave functions
Author(s) -
Scherr Charles W.
Publication year - 2009
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.560060608
Subject(s) - wave function , exponential function , simple (philosophy) , series (stratigraphy) , function (biology) , atomic physics , ion , chemistry , hydrogen atom , helium atom , atom (system on chip) , helium , hydrogen molecule , molecule , hydrogen , computational chemistry , physics , quantum mechanics , mathematics , mathematical analysis , group (periodic table) , paleontology , philosophy , epistemology , evolutionary biology , computer science , biology , embedded system
The function Φ m ( r , μ) = (1 + μ r/m ) ‐ m , previously discussed by Shillady and Somorjai in connection with the helium atom isoelectronic series, has been applied in more extended calculations to the same systems and to the hydrogen molecule in their ground states. Expectation values of various powers of r 1 and r 12 are calculated. It is concluded that the Φ m ( r , μ) are convenient to use, and in particular show promise of being useful in the study of negative ions.