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Physical Review Letters|March 17, 2011
Decoherence in attosecond photoionizationStefan Pabst, Loren Greenman, Phay J Ho, et al.Journal of the American Chemical Society|February 20, 2024
Selective Cobalt-Mediated Formation of Hydrogen Peroxide from Water under Mild Conditions via Ligand Redox Non-InnocenceSophie W Anferov, Jan-Niklas Boyn, David A Mazziotti, et al.The Journal of Chemical Physics|July 16, 2018
Using reduced density matrix techniques to capture static and dynamic correlation in the energy landscape for the decomposition of the CH2CH2ONO radical and support a non-IRC pathwayScott E Smart, Preston G Scrape, Laurie J Butler, et al.The Journal of Chemical Physics|April 29, 2010
Conical intersections in triplet excited states of methylene from the anti-Hermitian contracted Schrödinger equationJames W Snyder, Adam E Rothman, Jonathan J Foley, et al.The Journal of Physical Chemistry. A|May 23, 2022
Interplay of Electronic and Geometric Structure Tunes Organic Biradical Character in Bimetallic Tetrathiafulvalene Tetrathiolate ComplexesJan-Niklas Boyn, Lauren E McNamara, John S Anderson, et al.The Journal of Physical Chemistry. A|July 26, 2014
Modulating the electronic structure of chromophores by chemical substituents for efficient energy transfer: application to fluoroneAndrew M Sand, Claire Liu, Andrew J S Valentine, et al.The Journal of Physical Chemistry Letters|February 21, 2025
Machine Learning of Two-Electron Reduced Density Matrices for Many-Body ProblemsLuis H Delgado-Granados, LeeAnn M Sager-Smith, Kristina Trifonova, et al.Physical Review Letters|January 21, 2022
Quantum Simulation of Open Quantum Systems Using a Unitary Decomposition of OperatorsAnthony W Schlimgen, Kade Head-Marsden, LeeAnn M Sager, et al.The Journal of Physical Chemistry Letters|January 29, 2025
A Molecular Perspective of Exciton Condensation from Particle-Hole Reduced Density MatricesLillian I Payne Torres, Anna O Schouten, LeeAnn M Sager-Smith, et al.The Journal of Chemical Physics|January 1, 2022
Quantum-classical hybrid algorithm for the simulation of all-electron correlationJan-Niklas Boyn, Aleksandr O Lykhin, Scott E Smart, et al.Pageof 14