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http://hdl.handle.net/11375/23701
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Ayers, Paul | - |
dc.contributor.author | Patel, Anand | - |
dc.date.accessioned | 2019-01-09T18:20:08Z | - |
dc.date.available | 2019-01-09T18:20:08Z | - |
dc.date.issued | 2018 | - |
dc.identifier.uri | http://hdl.handle.net/11375/23701 | - |
dc.description.abstract | Nonlinear optics is a field with new applications being regularly discovered, which leads to a growing interest in computing these properties. In this work, we attempt to determine new methods of computationally determining the properties of biologically relevant systems. We do so through testing a novel finite-field method to compute these properties. To facilitate the computation of molecular energies required for finite-field calculations, we tested a hypergeometric resummation scheme. Together, these projects form a strong step into being able to compute the nonlinear optical properties for larger systems of biological relevance. | en_US |
dc.language.iso | en | en_US |
dc.subject | Computational Chemistry, Theoretical Chemistry, Nonlinear Optical Properties | en_US |
dc.title | TOWARDS VIABLE METHODS TO COMPUTE NONLINEAR OPTICAL PROPERTIES FOR BIOCHEMICAL SYSTEMS | en_US |
dc.type | Thesis | en_US |
dc.contributor.department | Chemistry and Chemical Biology | en_US |
dc.description.degreetype | Thesis | en_US |
dc.description.degree | Master of Science (MSc) | en_US |
Appears in Collections: | Open Access Dissertations and Theses |
Files in This Item:
File | Description | Size | Format | |
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Patel_Anand_HG_finalsubmission2018Aug_MSc.pdf | 16.12 MB | Adobe PDF | View/Open |
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