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The Journal of Chemical Physics|January 17, 2019
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulationsZhendong Li, Junhao Li, Nikesh S Dattani, et al.Physical Review Letters|January 29, 2025
Tensor Network Computations That Capture Strict Variationality, Volume Law Behavior, and the Efficient Representation of Neural Network StatesWen-Yuan Liu, Si-Jing Du, Ruojing Peng, et al.The Journal of Chemical Physics|April 17, 2012
The orbital-specific-virtual local coupled cluster singles and doubles methodJun Yang, Garnet Kin-Lic Chan, Frederick R Manby, et al.Science (New York, N.Y.)|August 9, 2014
Theoretical chemistry. Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracyJun Yang, Weifeng Hu, Denis Usvyat, et al.The Journal of Chemical Physics|February 15, 2013
The orbital-specific virtual local triples correction: OSV-L(T)Martin Schütz, Jun Yang, Garnet Kin-Lic Chan, et al.The Journal of Chemical Physics|March 18, 2014
Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimerSandeep Sharma, Takeshi Yanai, George H Booth, et al.The Journal of Chemical Physics|July 1, 2024
Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamicsXing Zhang, Chenghan Li, Hong-Zhou Ye, et al.The Journal of Physical Chemistry Letters|April 26, 2020
Exploring the Magnetic Properties of the Largest Single-Molecule MagnetsHenry F Schurkus, Dianteng Chen, Matthew J O'Rourke, et al.Journal of Chemical Theory and Computation|March 5, 2025
Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural OrbitalsYu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan, et al.The Journal of Physical Chemistry. A|November 15, 2023
Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron-Sulfur ClustersHuanchen Zhai, Seunghoon Lee, Zhi-Hao Cui, et al.Pageof 14