Lessons from electron pairing models for postmodern quantum chemistry

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dc.contributor.advisorScuseria, Gustavo E.
dc.creatorDutta, Rishab
dc.date.accessioned2023-09-01T20:16:44Z
dc.date.available2023-09-01T20:16:44Z
dc.date.created2023-08
dc.date.issued2023-07-20
dc.date.submittedAugust 2023
dc.date.updated2023-09-01T20:16:44Z
dc.description.abstractStrong 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.mimetypeapplication/pdf
dc.identifier.citationDutta, Rishab. "Lessons from electron pairing models for postmodern quantum chemistry." (2023) Diss., Rice University. https://hdl.handle.net/1911/115253.
dc.identifier.urihttps://hdl.handle.net/1911/115253
dc.language.isoeng
dc.rightsCopyright 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.subjecttheoretical chemistry
dc.subjectquantum chemistry
dc.subjectelectronic structure theory
dc.titleLessons from electron pairing models for postmodern quantum chemistry
dc.typeThesis
dc.type.materialText
thesis.degree.departmentChemistry
thesis.degree.disciplineNatural Sciences
thesis.degree.grantorRice University
thesis.degree.levelDoctoral
thesis.degree.nameDoctor of Philosophy
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