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Designing Molecules for Quantum Tech...

Dickerson, Claire,

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Designing Molecules for Quantum Technology /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Designing Molecules for Quantum Technology // Claire Dickerson.
Author:	Dickerson, Claire,
Description:	1 electronic resource (170 pages)
Notes:	Source: Dissertations Abstracts International, Volume: 85-09, Section: B.
Contained By:	Dissertations Abstracts International85-09B.
Subject:	Chemistry. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31140363
ISBN:	9798381959352

Designing Molecules for Quantum Technology /
Dickerson, Claire,

Designing Molecules for Quantum Technology /Claire Dickerson. - 1 electronic resource (170 pages)

Source: Dissertations Abstracts International, Volume: 85-09, Section: B.

Electronic excitations, induced by lasers, that decay directly to the initial electronic ground state are called optical cycling transitions. These transitions are used in quantum information and precision measurement for state initialization and readout. One way to prepare initial quantum states is by directly laser-cooling the molecule. In this work, we theoretically predicted molecules, beyond a few atoms in size, which could be laser-cooled, opening the field to increasingly larger polyatomic molecules. The extra degrees of freedom in polyatomic molecules allow novel features for quantum information, simulation, photon entanglement and provide a testbed for studying ultracold chemistry or fundamental physics. We developed design rules, from chemical principles, to tune ultranarrow electronic transitions of large molecules, from small organic to large inorganic complexes. Along the way, various theoretical methods were used or developed, from DFT to ab initio multireference methods to model Hamiltonians, which predicted relevant transitions or lifetimes in these molecules to match experiment.

English

ISBN: 9798381959352Subjects--Topical Terms:

516420
Chemistry.
Subjects--Index Terms:

Multireference methods

Designing Molecules for Quantum Technology /
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245 1 0 $a Designing Molecules for Quantum Technology / $c Claire Dickerson.
264 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2024
300 $a 1 electronic resource (170 pages)
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500 $a Source: Dissertations Abstracts International, Volume: 85-09, Section: B.
500 $a Advisors: Alexandrova, Anastassia N. Committee members: Campbell, Wesley C.; Caram, Justin R.; Neuhauser, Daniel.
502 $b Ph.D. $c University of California, Los Angeles $d 2024.
520 $a Electronic excitations, induced by lasers, that decay directly to the initial electronic ground state are called optical cycling transitions. These transitions are used in quantum information and precision measurement for state initialization and readout. One way to prepare initial quantum states is by directly laser-cooling the molecule. In this work, we theoretically predicted molecules, beyond a few atoms in size, which could be laser-cooled, opening the field to increasingly larger polyatomic molecules. The extra degrees of freedom in polyatomic molecules allow novel features for quantum information, simulation, photon entanglement and provide a testbed for studying ultracold chemistry or fundamental physics. We developed design rules, from chemical principles, to tune ultranarrow electronic transitions of large molecules, from small organic to large inorganic complexes. Along the way, various theoretical methods were used or developed, from DFT to ab initio multireference methods to model Hamiltonians, which predicted relevant transitions or lifetimes in these molecules to match experiment.
546 $a English
590 $a School code: 0031
650 4 $a Chemistry. $3 516420
650 4 $a Physical chemistry. $3 1981412
650 4 $a Molecular chemistry. $3 1071612
653 $a Multireference methods
653 $a Quantum information
653 $a Polyatomic molecules
690 $a 0485
690 $a 0431
690 $a 0494
710 2 $a University of California, Los Angeles. $b Chemistry 0153. $e degree granting institution. $3 3816086
720 1 $a Alexandrova, Anastassia N. $e degree supervisor.
773 0 $t Dissertations Abstracts International $g 85-09B.
790 $a 0031
791 $a Ph.D.
792 $a 2024
856 4 0 $u https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31140363