Endohedral Confinement of Hydrogen Atom

Chowdhury, Saptarshi (2022) Endohedral Confinement of Hydrogen Atom. Masters thesis, Indian Institute of Science Education and Research Kolkata.

Text (MS dissertation of Saptarshi Chowdhury (17MS123)) 17MS123_Thesis_file.pdf - Submitted Version Restricted to Repository staff only Download (4MB)

Abstract

With the discovery of fullerene in 1980s it is use extensively for its cavity. It has been shown that fullerene is useful in many scenarios for example in medical diagnostics like MRI, metal gadolinium is used for contrasting agent but in case it is not excreted quickly after diagnostics are done it causes serious health issue and even death. In this problem fullerene can be used to encapsulate gadolinium metal which restrict it from deposition. Other than this it has many application in Quantum Computation and material sciences. In this work we have calculated some spectroscopic properties like Multipole Oscillator Strength and Multipole Polarizability. We have used Generalized Pseudospectral Method for the computational work which provides use with more accurate eigenfunction and eigenvalues. Also to serve our purpose we have used Woods-Saxon model and Gaussian Well model with experimental fitted data which help us to model the fullerene cage an attractive potential. We have seen that energy profile shows avoided crossing when plotted as a function of well depth. The phenomenon can be explain by mirror collapse. We confer that this phenomena is crucial to understand the behaviour we see in oscillator strength and polarizability.

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