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Physical Chemistry Chemical Physics : PCCP
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July 27, 2023
Radicals in aqueous solution: assessment of density-corrected SCAN functional
Fabian Belleflamme, Jürg Hutter
The Journal of Chemical Physics
|
February 8, 2023
A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory
Fabian Belleflamme, Anna-Sophia Hehn, Marcella Iannuzzi, et al.
Journal of Chemical Theory and Computation
|
May 21, 2024
Correction to "Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods"
Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, et al.
Journal of Chemical Theory and Computation
|
June 27, 2022
Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods
Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, et al.
The Journal of Chemical Physics
|
March 9, 2021
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
Thomas D Kühne, Marcella Iannuzzi, Mauro Del Ben, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
July 27, 2023
Radicals in aqueous solution: assessment of density-corrected SCAN functional
Fabian Belleflamme, Jürg Hutter
The Journal of Chemical Physics
|
February 8, 2023
A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory
Fabian Belleflamme, Anna-Sophia Hehn, Marcella Iannuzzi, et al.
Journal of Chemical Theory and Computation
|
May 21, 2024
Correction to "Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods"
Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, et al.
Journal of Chemical Theory and Computation
|
June 27, 2022
Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods
Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, et al.
The Journal of Chemical Physics
|
March 9, 2021
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
Thomas D Kühne, Marcella Iannuzzi, Mauro Del Ben, et al.
Page
of 1