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The Journal of Chemical Physics|January 22, 2018
Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis setsXing Zhang, Emily A CarterJournal of Chemical Theory and Computation|December 22, 2018
Subspace Density Matrix Functional Embedding Theory: Theory, Implementation, and Applications to Molecular SystemsXing Zhang, Emily A CarterJournal of Chemical Theory and Computation|October 20, 2020
Benchmarking an Embedded Adaptive Sampling Configuration Interaction Method for Surface Reactions: H2 Desorption from and CH4 Dissociation on Cu(111)Qing Zhao, Xing Zhang, John Mark P Martirez, et al.Science (New York, N.Y.)|August 9, 2008
Challenges in modeling materials properties without experimental inputEmily A CarterThe Journal of Chemical Physics|September 13, 2006
Self-consistent embedding theory for locally correlated configuration interaction wave functions in condensed matterPatrick Huang, Emily A CarterChemical Reviews|December 19, 2018
Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 ReductionShenzhen Xu, Emily A CarterNano Letters|June 15, 2006
Local electronic structure around a single Kondo impurityPatrick Huang, Emily A CarterJournal of the American Chemical Society|June 15, 2018
2-Pyridinide as an Active Catalytic Intermediate for CO2 Reduction on p-GaP Photoelectrodes: Lifetime and SelectivityShenzhen Xu, Emily A CarterThe Journal of Chemical Physics|November 25, 2011
Potential-functional embedding theory for molecules and materialsChen Huang, Emily A CarterThe Journal of Chemical Physics|April 5, 2014
Communication: comparing ab initio methods of obtaining effective U parameters for closed-shell materialsKuang Yu, Emily A CarterPageof 394