Exact-Two-Component Relativistic Multireference Second-Order Perturbation Theory
Lu, Lixin, Hu, Hang, Jenkins, Andrew J., Li, Xiaosong
Published in Journal of chemical theory and computation (10.05.2022)
Published in Journal of chemical theory and computation (10.05.2022)
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Journal Article
Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac–Coulomb–Breit-Parameterized Effective Spin–Orbit Coupling
Ehrman, Jordan, Martinez-Baez, Ernesto, Jenkins, Andrew J., Li, Xiaosong
Published in Journal of chemical theory and computation (12.09.2023)
Published in Journal of chemical theory and computation (12.09.2023)
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Journal Article
Perspective on Kramers symmetry breaking and restoration in relativistic electronic structure methods for open-shell systems
Kasper, Joseph M., Jenkins, Andrew J., Sun, Shichao, Li, Xiaosong
Published in Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physics (07.09.2020)
Published in Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physics (07.09.2020)
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Journal Article
The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations
Jenkins, Andrew J., Spinlove, K. Eryn, Vacher, Morgane, Worth, Graham A., Robb, Michael A.
Published in Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physics (07.09.2018)
Published in Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physics (07.09.2018)
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Journal Article
Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L‑Edge X‑ray Absorption Spectra
Jenkins, Andrew J, Hu, Hang, Lu, Lixin, Frisch, Michael J, Li, Xiaosong
Published in Journal of chemical theory and computation (11.01.2022)
Published in Journal of chemical theory and computation (11.01.2022)
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Journal Article
Crowdsourcing a Collective Sense of Place
Jenkins, Andrew, Croitoru, Arie, Crooks, Andrew T, Stefanidis, Anthony
Published in PloS one (06.04.2016)
Published in PloS one (06.04.2016)
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Journal Article
Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF
Liao, Can, Hoyer, Chad E., Banerjee Ghosh, Rahoul, Jenkins, Andrew J., Knecht, Stefan, Frisch, Michael J., Li, Xiaosong
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2024)
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Journal Article
Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence
Jenkins, Andrew J., Vacher, Morgane, Twidale, Rebecca M., Bearpark, Michael J., Robb, Michael A.
Published in Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physics (28.10.2016)
Published in Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physics (28.10.2016)
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Journal Article
The “Hole” Story in Ionized Water from the Perspective of Ehrenfest Dynamics
Lu, Lixin, Wildman, Andrew, Jenkins, Andrew J, Young, Linda, Clark, Aurora E, Li, Xiaosong
Published in The journal of physical chemistry letters (19.11.2020)
Published in The journal of physical chemistry letters (19.11.2020)
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Journal Article
Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron–Nuclear Dynamics of Intersystem Crossing
Danilov, Don, Jenkins, Andrew J, Bearpark, Michael J, Worth, Graham A, Robb, Michael A
Published in The journal of physical chemistry letters (06.07.2023)
Published in The journal of physical chemistry letters (06.07.2023)
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Journal Article