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Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory
Journal of Chemical Theory and Computation · Diptarka Hait
in CV
in OpenAlex
noneScholar citations
5OpenAlex citations
From the CV
lines 46–48 · published
46. Kang, R.∗; Cunha, L.A.∗; Hait, D.; Head-Gordon, M. “Extending Orbital-Optimized Density FunctionalTheory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-DegeneratePerturbation Theory.” J. Chem. Theory Comput. ASAP. 2025.
- Peer reviewed
- yes
- First author
- Kang
- Co-authors
- Kang, R.∗; Cunha, L.A.∗; Hait, D.; Head-Gordon, M.
- Subfield
- other
- Method
- none
- Invited
- none
- Publisher
- none
- Reprint or translation
- none
- DOI
- 10.1021/acs.jctc.5c00809
- OpenAlex
- W4413644181
Where each field came from
| Field | CV | OpenAlex | Scholar | CrossRef |
|---|---|---|---|---|
| title | Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory (used) | Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation TheoryExtending orbital-optimized density functional theory to L-edge XPS and beyond: Spin-orbit coupling via non-orthogonal quasi-degenerate perturbation theory | ||
| year | 2025 (used) | 20252025 | ||
| venue | J. Chem. Theory Comput. | Journal of Chemical Theory and ComputationarXiv (Cornell University) | Journal of Chemical Theory and Computation (used) | |
| kind | article (used) | articleworking_paper | ||
| DOI | 10.1021/acs.jctc.5c00809 (used) | 10.1021/acs.jctc.5c0080910.48550/arxiv.2505.14570 | ||
| preprint DOI | 10.48550/arxiv.2505.14570 (used) | |||
| first author | Kang | Kang (used)Kang |
The value in bold is the one the record uses.
How the records were joined
- doi merged · 1.00 · Run 18