Open AccessVisualization of Wavefunctions of the Ionized Hydrogen Molecule
Author(s) -
John L. Johnson
Publication year - 2004
Publication title -
journal of chemical education
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.499
H-Index - 84
eISSN - 1938-1328
pISSN - 0021-9584
DOI - 10.1021/ed081p1535.1
Subject(s) - wave function , molecule , visualization , ionization , hydrogen , computational chemistry , chemistry , physics , atomic physics , theoretical physics , chemical physics , quantum mechanics , computer science , ion , data mining
Using Mathcad and the Shooting Method, students can numerically solve the Schrodinger equation for the ionized hydrogen molecule. The solutions to the angular portions of the wavefunctions are the spheroidal harmonics, which students can plot to visualize the shapes of molecular orbitals.
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