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The Journal of Chemical Physics
|
November 10, 2020
Basis set extrapolation in pair natural orbital theories
Kesha Sorathia, David P Tew
Journal of Chemical Theory and Computation
|
March 21, 2024
Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets
Kesha Sorathia, Damyan Frantzov, David P Tew
The Journal of Chemical Physics
|
December 2, 2025
DLPNO-MP2 for periodic systems. I. Periodic boundary conditions
Arman Nejad, Andrew Zhu, Kesha Sorathia, et al.
The Journal of Chemical Physics
|
December 2, 2025
DLPNO-MP2 for periodic systems. II. Megacell embedding
Andrew Zhu, Arman Nejad, Poramas Komonvasee, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
November 10, 2020
Basis set extrapolation in pair natural orbital theories
Kesha Sorathia, David P Tew
Journal of Chemical Theory and Computation
|
March 21, 2024
Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets
Kesha Sorathia, Damyan Frantzov, David P Tew
The Journal of Chemical Physics
|
December 2, 2025
DLPNO-MP2 for periodic systems. I. Periodic boundary conditions
Arman Nejad, Andrew Zhu, Kesha Sorathia, et al.
The Journal of Chemical Physics
|
December 2, 2025
DLPNO-MP2 for periodic systems. II. Megacell embedding
Andrew Zhu, Arman Nejad, Poramas Komonvasee, et al.
Page
of 1