Approximation Methods
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The shape of the electron orbit of a Hydrogen atom. Figure 1. The shape of electron orbit of a Hydrogen atom. The red sphere represent...
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Toshikatsu Koga Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050, Japan ABSTRACT ...
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Masayuki Ochi For highly accurate electronic structure calculation, the Jastrow correlation factor is known to suc- cessfully capture ...
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Mike Towler Theory of Condensed Matter Group Cavendish Laboratory, University of Cambridge, U.K Abstract The purpose of these not...
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A1A Abstract Using the Numerov algorithm, the Schr ̈odinger equation was solved for the square well, harmonic and linear potentials. Th...
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EGIL A. HYLLERAAS in Gottingen Received 16 March 1928.) AB STRACT The goal of this work is a calculation of the ionisation pote...
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atom H He Li Be B C N O F Ne molecular data 3 σ u = * 2p σ 1 π g = * ...
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dissociation energy D e ( eV ) equ...
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Numerov’s method Numerov’s method 1 (also called Cowell’s method) is a numerical method to solve ordinary differential equations of sec...
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