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The Journal of Chemical Physics
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August 6, 2022
Comparing correlation components and approximations in Hartree-Fock and Kohn-Sham theories via an analytical test case study
Sara Giarrusso, Aurora Pribram-Jones
Journal of Chemical Theory and Computation
|
August 29, 2023
Møller-Plesset and Density-Fixed Adiabatic Connections for a Model Diatomic System at Different Correlation Regimes
Sara Giarrusso, Aurora Pribram-Jones
The Journal of Chemical Physics
|
April 9, 2022
Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas
Brittany P Harding, Zachary Mauri, Aurora Pribram-Jones
Physical Review Letters
|
June 25, 2016
Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem
Aurora Pribram-Jones, Paul E Grabowski, Kieron Burke
Annual Review of Physical Chemistry
|
April 2, 2015
DFT: A Theory Full of Holes?
Aurora Pribram-Jones, David A Gross, Kieron Burke
Physical Review Letters
|
August 5, 2017
Direct Extraction of Excitation Energies from Ensemble Density-Functional Theory
Zeng-Hui Yang, Aurora Pribram-Jones, Kieron Burke, et al.
The Journal of Chemical Physics
|
April 17, 2024
Exchange-correlation entropy from the generalized thermal adiabatic connection
Brittany P Harding, Zachary Mauri, Vera W Xie, et al.
Journal of Chemical Theory and Computation
|
November 29, 2022
Good Vibrations: Calculating Excited-State Frequencies Using Ground-State Self-Consistent Field Models
Ali Abou Taka, Hector H Corzo, Aurora Pribram Jones, et al.
Journal of Computational Chemistry
|
December 22, 2021
Using projection operators with maximum overlap methods to simplify challenging self-consistent field optimization
Hector H Corzo, Ali Abou Taka, Aurora Pribram-Jones, et al.
The Journal of Chemical Physics
|
May 17, 2014
Excitations and benchmark ensemble density functional theory for two electrons
Aurora Pribram-Jones, Zeng-Hui Yang, John R Trail, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
August 6, 2022
Comparing correlation components and approximations in Hartree-Fock and Kohn-Sham theories via an analytical test case study
Sara Giarrusso, Aurora Pribram-Jones
Journal of Chemical Theory and Computation
|
August 29, 2023
Møller-Plesset and Density-Fixed Adiabatic Connections for a Model Diatomic System at Different Correlation Regimes
Sara Giarrusso, Aurora Pribram-Jones
The Journal of Chemical Physics
|
April 9, 2022
Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas
Brittany P Harding, Zachary Mauri, Aurora Pribram-Jones
Physical Review Letters
|
June 25, 2016
Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem
Aurora Pribram-Jones, Paul E Grabowski, Kieron Burke
Annual Review of Physical Chemistry
|
April 2, 2015
DFT: A Theory Full of Holes?
Aurora Pribram-Jones, David A Gross, Kieron Burke
Physical Review Letters
|
August 5, 2017
Direct Extraction of Excitation Energies from Ensemble Density-Functional Theory
Zeng-Hui Yang, Aurora Pribram-Jones, Kieron Burke, et al.
The Journal of Chemical Physics
|
April 17, 2024
Exchange-correlation entropy from the generalized thermal adiabatic connection
Brittany P Harding, Zachary Mauri, Vera W Xie, et al.
Journal of Chemical Theory and Computation
|
November 29, 2022
Good Vibrations: Calculating Excited-State Frequencies Using Ground-State Self-Consistent Field Models
Ali Abou Taka, Hector H Corzo, Aurora Pribram Jones, et al.
Journal of Computational Chemistry
|
December 22, 2021
Using projection operators with maximum overlap methods to simplify challenging self-consistent field optimization
Hector H Corzo, Ali Abou Taka, Aurora Pribram-Jones, et al.
The Journal of Chemical Physics
|
May 17, 2014
Excitations and benchmark ensemble density functional theory for two electrons
Aurora Pribram-Jones, Zeng-Hui Yang, John R Trail, et al.
Page
of 2