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Can Liao
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State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin–Orbit Coupling: Benchmark and Perspectives
C Liao, JM Kasper, AJ Jenkins, P Yang, ER Batista, MJ Frisch, X Li
JACS Au 3 (2), 358-367, 2023
72023
Manifestation of the interplay between spin–orbit and Jahn–Teller effects in Au 25 superatom UV-Vis fingerprint spectra
C Liao, M Zhu, D Jiang, X Li
Chemical Science 14 (18), 4666-4671, 2023
42023
Multi-scale dynamics at the glassy silica surface
HA Nguyen, C Liao, A Wallum, J Lyding, M Gruebele
The Journal of Chemical Physics 151 (17), 2019
42019
Phase‐Controlled Synthesis and Quasi‐Static Dielectric Resonances in Silver Iron Sulfide (AgFeS2) Nanocrystals
S Lee, CE Hoyer, C Liao, X Li, VC Holmberg
Small 18 (9), 2104975, 2022
22022
Exploring Locality in Molecular Dirac-Coulomb-Breit Calculations: A Perspective
C Liao, E Lambros, Q Sun, KG Dyall, X Li
Journal of Chemical Theory and Computation 19 (24), 9009-9017, 2023
12023
Tetravalent Cerium Alkyl and Benzyl Complexes
H Tateyama, AC Boggiano, C Liao, KS Otte, X Li, HS La Pierre
Journal of the American Chemical Society, 2024
2024
Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF
C Liao, CE Hoyer, R Banerjee Ghosh, AJ Jenkins, S Knecht, MJ Frisch, ...
The Journal of Physical Chemistry A, 2024
2024
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