Lessons from electron pairing models for postmodern quantum chemistry

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dc.contributor.advisorScuseria, Gustavo E.en_US
dc.creatorDutta, Rishaben_US
dc.date.accessioned2023-09-01T20:16:44Zen_US
dc.date.available2023-09-01T20:16:44Zen_US
dc.date.created2023-08en_US
dc.date.issued2023-07-20en_US
dc.date.submittedAugust 2023en_US
dc.date.updated2023-09-01T20:16:44Zen_US
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.en_US
dc.format.mimetypeapplication/pdfen_US
dc.identifier.citationDutta, Rishab. "Lessons from electron pairing models for postmodern quantum chemistry." (2023) Diss., Rice University. https://hdl.handle.net/1911/115253.en_US
dc.identifier.urihttps://hdl.handle.net/1911/115253en_US
dc.language.isoengen_US
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.en_US
dc.subjecttheoretical chemistryen_US
dc.subjectquantum chemistryen_US
dc.subjectelectronic structure theoryen_US
dc.titleLessons from electron pairing models for postmodern quantum chemistryen_US
dc.typeThesisen_US
dc.type.materialTexten_US
thesis.degree.departmentChemistryen_US
thesis.degree.disciplineNatural Sciencesen_US
thesis.degree.grantorRice Universityen_US
thesis.degree.levelDoctoralen_US
thesis.degree.nameDoctor of Philosophyen_US
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