Please use this identifier to cite or link to this item:
http://hdl.handle.net/10603/584405
Title: | Theoretical studies on rare gas clusters |
Researcher: | Gupta, Koushiki |
Guide(s): | Chattopadhyay, Asoke P |
Keywords: | Chemistry Chemistry Applied Physical Sciences |
University: | University of Kalyani |
Completed Date: | 2015 |
Abstract: | Clusters of rare-gas atoms are interesting from two opposite perspectives. Experimentally, they are difficult to observe. They are mainly found in coolants in nuclear reactors and in molecular beam experiments. Theoretically, binding energies of rare-gas clusters have proved difficult to compute as the nature of interaction is very weak (van der Waals type). Rare-gas dimers however have recently attracted much theoretical attention, including use of Density Functional Theory (DFT). For example, it is known that the widely used B3LYP functional completely fails to describe interaction between rare gas atoms. A lot of studies explored alternative functional or methods to address this lacuna. newline |
Pagination: | 162p |
URI: | http://hdl.handle.net/10603/584405 |
Appears in Departments: | Department of Chemistry |
Files in This Item:
File | Description | Size | Format | |
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01_title.pdf | Attached File | 137.91 kB | Adobe PDF | View/Open |
02_prelim pages.pdf | 701.35 kB | Adobe PDF | View/Open | |
03_content.pdf | 195.15 kB | Adobe PDF | View/Open | |
04_abstract.pdf | 544.17 kB | Adobe PDF | View/Open | |
05_chapter 1.pdf | 868.82 kB | Adobe PDF | View/Open | |
06_chapter 2.pdf | 621.11 kB | Adobe PDF | View/Open | |
07_chapter 3.pdf | 888.42 kB | Adobe PDF | View/Open | |
08_chapter 4.pdf | 862.49 kB | Adobe PDF | View/Open | |
09_annexures.pdf | 606.52 kB | Adobe PDF | View/Open | |
80_recommendation.pdf | 830.7 kB | Adobe PDF | View/Open |
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