Lessons from electron pairing models for postmodern quantum chemistry
dc.contributor.advisor | Scuseria, Gustavo E. | |
dc.creator | Dutta, Rishab | |
dc.date.accessioned | 2023-09-01T20:16:44Z | |
dc.date.available | 2023-09-01T20:16:44Z | |
dc.date.created | 2023-08 | |
dc.date.issued | 2023-07-20 | |
dc.date.submitted | August 2023 | |
dc.date.updated | 2023-09-01T20:16:44Z | |
dc.description.abstract | Strong electron correlation is ubiquitous in chemistry and physics. The importance of strong correlation in diverse chemical systems and the failure of traditional electronic structure methods to capture it motivate the current work. We highlight the role of electron pairing in strong correlation and introduce conceptually appealing wavefunction ansätze that can accurately describe strong pairing interactions. Our work builds the foundations of a new generation of quantum chemistry methods which would expand the space of many-electron systems that are accurately understood. | |
dc.format.mimetype | application/pdf | |
dc.identifier.citation | Dutta, Rishab. "Lessons from electron pairing models for postmodern quantum chemistry." (2023) Diss., Rice University. https://hdl.handle.net/1911/115253. | |
dc.identifier.uri | https://hdl.handle.net/1911/115253 | |
dc.language.iso | eng | |
dc.rights | Copyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder. | |
dc.subject | theoretical chemistry | |
dc.subject | quantum chemistry | |
dc.subject | electronic structure theory | |
dc.title | Lessons from electron pairing models for postmodern quantum chemistry | |
dc.type | Thesis | |
dc.type.material | Text | |
thesis.degree.department | Chemistry | |
thesis.degree.discipline | Natural Sciences | |
thesis.degree.grantor | Rice University | |
thesis.degree.level | Doctoral | |
thesis.degree.name | Doctor of Philosophy |
Files
Original bundle
1 - 1 of 1