Numerical Treatment of Schrödinger’s Equation for One-Particle and Two-Particle Systems Using Matrix Method and Two-Particle Systems Using Matrix Method

 Spatika Dasharati Iyengar

 

 ABSTRACT

 With an increased interest in accurately predicting aerothermal environments for planetary entry, recent researches have concentrated on developing high fidelitycomputational models using quantum-mechanical first principles. These calculationsare dependent on solving the Schr ̈odinger equation using molecular orbital theorytechniques. They are either approximate solutions to actual equations or exactsolutions to approximate equations. Exact solutions have not found favor due to thecomputational expense of the problem. Hence, a novel numerical approach isdeveloped and tested here using linear algebraic matrix methods to enable precisesolutions.

https://commons.erau.edu/cgi/viewcontent.cgi?article=1489&context=edt