Please use this identifier to cite or link to this item:
https://dspace.iiti.ac.in/handle/123456789/1783
| Title: | Energy computations using Hartree-Fock method |
| Authors: | Mandal, Aniket |
| Supervisors: | Bulusu, Satya S. |
| Keywords: | Chemistry |
| Issue Date: | 3-Jul-2019 |
| Publisher: | Department of Chemistry, IIT Indore |
| Series/Report no.: | MS136 |
| Abstract: | Ab Initio Quantum Chemistry methods are used in Theoretical and Computational Chemistry for a variety of purposes. They are primarily used to calculate the electronic energy of a system. In this project, we used one such ab initio method, the Hartree-Fock method, to calculate the electronic energy of two systems, H2O and HeH+. |
| URI: | https://dspace.iiti.ac.in/handle/123456789/1783 |
| Type of Material: | Thesis_M.Sc |
| Appears in Collections: | Department of Chemistry_ETD |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| MS_136_Aniket_Mandal_1703131002.pdf | 564.1 kB | Adobe PDF |  View/Open |
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