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Journal of Chemical Theory and Computation
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July 11, 2022
Basis Set Selection for Molecular Core-Level <i>GW</i> Calculations
Daniel Mejia-Rodriguez, Alexander Kunitsa, Edoardo Aprà, et al.
Journal of Chemical Theory and Computation
|
December 2, 2021
Scalable Molecular GW Calculations: Valence and Core Spectra
Daniel Mejia-Rodriguez, Alexander Kunitsa, Edoardo Aprà, et al.
The Journal of Chemical Physics
|
December 29, 2025
Quantum simulation of electron energy loss spectroscopy for battery materials
Alexander Kunitsa, Diksha Dhawan, Stepan Fomichev, et al.
Journal of Chemical Theory and Computation
|
July 17, 2023
NWChem: Recent and Ongoing Developments
Daniel Mejia-Rodriguez, Edoardo Aprà, Jochen Autschbach, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 11, 2022
Basis Set Selection for Molecular Core-Level <i>GW</i> Calculations
Daniel Mejia-Rodriguez, Alexander Kunitsa, Edoardo Aprà, et al.
Journal of Chemical Theory and Computation
|
December 2, 2021
Scalable Molecular GW Calculations: Valence and Core Spectra
Daniel Mejia-Rodriguez, Alexander Kunitsa, Edoardo Aprà, et al.
The Journal of Chemical Physics
|
December 29, 2025
Quantum simulation of electron energy loss spectroscopy for battery materials
Alexander Kunitsa, Diksha Dhawan, Stepan Fomichev, et al.
Journal of Chemical Theory and Computation
|
July 17, 2023
NWChem: Recent and Ongoing Developments
Daniel Mejia-Rodriguez, Edoardo Aprà, Jochen Autschbach, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Page
of 1