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Journal of Chemical Theory and Computation
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May 7, 2024
Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations
Mykola Sereda, Tucker Allen, Nadine C Bradbury, et al.
Journal of Chemical Theory and Computation
|
October 26, 2019
Stochastic Resolution of Identity for Real-Time Second-Order Green's Function: Ionization Potential and Quasi-Particle Spectrum
Wenjie Dou, Tyler Y Takeshita, Ming Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 18, 2017
Explaining the symmetry breaking observed in the endofullerenes H<sub>2</sub>@C<sub>60</sub>, HF@C<sub>60</sub>, and H<sub>2</sub>O@C<sub>60</sub>
Peter M Felker, Vojtěch Vlček, Isaac Hietanen, et al.
The Journal of Chemical Physics
|
August 24, 2020
Range-separated stochastic resolution of identity: Formulation and application to second-order Green's function theory
Wenjie Dou, Ming Chen, Tyler Y Takeshita, et al.
The Journal of Chemical Physics
|
October 8, 2024
No more gap-shifting: Stochastic many-body-theory based TDHF for accurate theory of polymethine cyanine dyes
Nadine C Bradbury, Barry Y Li, Tucker Allen, et al.
Journal of Chemical Theory and Computation
|
September 16, 2017
Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller-Plesset Perturbation Theory
Tyler Y Takeshita, Wibe A de Jong, Daniel Neuhauser, et al.
Physical Review Letters
|
May 21, 2016
Spontaneous Charge Carrier Localization in Extended One-Dimensional Systems
Vojtěch Vlček, Helen R Eisenberg, Gerd Steinle-Neumann, et al.
The Journal of Chemical Physics
|
April 20, 2005
On the stability of glycine-water clusters with excess electron: implications for photoelectron spectroscopy
Doo-Sik Ahn, Ae-Ri Kang, Sungyul Lee, et al.
The Journal of Chemical Physics
|
July 15, 2025
Parameterized attenuated exchange for generalized TDHF@vW applications
Barry Y Li, Tim Duong, Tucker Allen, et al.
The Journal of Physical Chemistry. B
|
November 3, 2006
Shot-noise limited single-molecule FRET histograms: comparison between theory and experiments
Eyal Nir, Xavier Michalet, Kambiz M Hamadani, et al.
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of 10
Search research articles
Search
Showing results (71-80 of 91) with videos related to
Sort By:
Page
of 10
Journal of Chemical Theory and Computation
|
May 7, 2024
Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations
Mykola Sereda, Tucker Allen, Nadine C Bradbury, et al.
Journal of Chemical Theory and Computation
|
October 26, 2019
Stochastic Resolution of Identity for Real-Time Second-Order Green's Function: Ionization Potential and Quasi-Particle Spectrum
Wenjie Dou, Tyler Y Takeshita, Ming Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 18, 2017
Explaining the symmetry breaking observed in the endofullerenes H<sub>2</sub>@C<sub>60</sub>, HF@C<sub>60</sub>, and H<sub>2</sub>O@C<sub>60</sub>
Peter M Felker, Vojtěch Vlček, Isaac Hietanen, et al.
The Journal of Chemical Physics
|
August 24, 2020
Range-separated stochastic resolution of identity: Formulation and application to second-order Green's function theory
Wenjie Dou, Ming Chen, Tyler Y Takeshita, et al.
The Journal of Chemical Physics
|
October 8, 2024
No more gap-shifting: Stochastic many-body-theory based TDHF for accurate theory of polymethine cyanine dyes
Nadine C Bradbury, Barry Y Li, Tucker Allen, et al.
Journal of Chemical Theory and Computation
|
September 16, 2017
Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller-Plesset Perturbation Theory
Tyler Y Takeshita, Wibe A de Jong, Daniel Neuhauser, et al.
Physical Review Letters
|
May 21, 2016
Spontaneous Charge Carrier Localization in Extended One-Dimensional Systems
Vojtěch Vlček, Helen R Eisenberg, Gerd Steinle-Neumann, et al.
The Journal of Chemical Physics
|
April 20, 2005
On the stability of glycine-water clusters with excess electron: implications for photoelectron spectroscopy
Doo-Sik Ahn, Ae-Ri Kang, Sungyul Lee, et al.
The Journal of Chemical Physics
|
July 15, 2025
Parameterized attenuated exchange for generalized TDHF@vW applications
Barry Y Li, Tim Duong, Tucker Allen, et al.
The Journal of Physical Chemistry. B
|
November 3, 2006
Shot-noise limited single-molecule FRET histograms: comparison between theory and experiments
Eyal Nir, Xavier Michalet, Kambiz M Hamadani, et al.
Page
of 10