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Sarah Pak
Institutions:
Southern Adventist University,
University of Memphis
Observed institutions:
Southern Adventist University,
University of Memphis
ORCID:
0009-0007-8519-915X
Observed ORCID:
0009-0007-8519-915X
OpenAlex ID:
A5081350985
The role of the coupling matrix elements in time-dependent density functional theory on the simulation of core-level spectra of transition metal complexes
2024
·
Sarah Pak
, Daniel R Nascimento
·
Electronic Structure
·
5
PDF
Fast simulation of soft x-ray near-edge spectra using a relativistic state-interaction approach: Application to closed-shell transition metal complexes
2025
·
Sarah Pak
, Muhammed A. Dada
, et al.
·
The Journal of Chemical Physics
·
4
PDF
The Effect of Density Functionals and Basis Sets on QM ‐Cluster Models of Chorismate Mutase
2026
·
Donatus A. Agbaglo
, Christopher T. Barksdale
, et al.
·
International Journal of Quantum Chemistry
·
2
PDF
Quantifying the impact of the Tamm–Dancoff approximation on the computed spectra of transition-metal systems
2026
·
Muhammed A. Dada
, Sarah Pak
, et al.
·
The Journal of Chemical Physics
·
1
PDF
Simplified Lr-tddft/zora Approach for Generating Spin-orbit Couplings for X-ray Absorption Spectra
2022
·
Sarah Pak
, Daniel Nascimento
·
International Symposium on Molecular Spectroscopy (ISMS)
PDF
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Works count:
5
Citation count:
12
H-index:
2
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