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Exploring Atomic Systems Using a Relativistic IMSRG Scheme Patel, Hrishikesh
Abstract
In this work, we propose to use In-Medium Similarity Renormalisation Group (IMSRG) scheme to
study the precise structure of atomic systems with a Dirac-Hartree Fock (DHF) reference frame.
IMSRG was developed as a many-body method in the field of nuclear physics to decouple degrees
of freedom in highly correlated Hamiltonians. DHF, on the other hand, is a well-established meanfield
approach in the field of atomic physics where relativistic effects for multi-electron species are
calculated using a mean-field potential. Precise agreement with experiment and prediction power
are essential in the field of atomic physics. In this work, we provide a way to combine these two
methods to accurately calculate ground states of atomic systems. We provide calculations comparable
to state-of-the-art benchmarks for closed shell atomic systems and some proof-of-concept
calculations for open shell atoms which have so far eluded most ab-initio methods in the field. We
also address some key limitations of our method and outline steps needed to overcome them.
Item Metadata
| Title |
Exploring Atomic Systems Using a Relativistic IMSRG Scheme
|
| Creator | |
| Date Issued |
2023-08
|
| Description |
In this work, we propose to use In-Medium Similarity Renormalisation Group (IMSRG) scheme to
study the precise structure of atomic systems with a Dirac-Hartree Fock (DHF) reference frame.
IMSRG was developed as a many-body method in the field of nuclear physics to decouple degrees
of freedom in highly correlated Hamiltonians. DHF, on the other hand, is a well-established meanfield
approach in the field of atomic physics where relativistic effects for multi-electron species are
calculated using a mean-field potential. Precise agreement with experiment and prediction power
are essential in the field of atomic physics. In this work, we provide a way to combine these two
methods to accurately calculate ground states of atomic systems. We provide calculations comparable
to state-of-the-art benchmarks for closed shell atomic systems and some proof-of-concept
calculations for open shell atoms which have so far eluded most ab-initio methods in the field. We
also address some key limitations of our method and outline steps needed to overcome them.
|
| Genre | |
| Type | |
| Language |
eng
|
| Series | |
| Date Available |
2023-08-25
|
| Provider |
Vancouver : University of British Columbia Library
|
| Rights |
Attribution-NonCommercial-NoDerivatives 4.0 International
|
| DOI |
10.14288/1.0435586
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| URI | |
| Affiliation | |
| Peer Review Status |
Unreviewed
|
| Scholarly Level |
Undergraduate
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| Rights URI | |
| Aggregated Source Repository |
DSpace
|
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Rights
Attribution-NonCommercial-NoDerivatives 4.0 International