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Journal of Chemical Theory and Computation
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June 12, 2026
Nonlocal Orbital-Free Kinetic Energy Functional from the Jellium-with-Gap Model for Finite Systems
Abhishek Bhattacharjee, Subrata Jana, Szymon Śmiga, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 31, 2019
Laplacian free and asymptotic corrected semilocal exchange potential applied to the band gap of solids
Abhilash Patra, Subrata Jana, Hemanadhan Myneni, et al.
The Journal of Physical Chemistry. A
|
October 9, 2023
Semilocal Meta-GGA Exchange-Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations
Subrata Jana, Szymon Śmiga, Lucian A Constantin, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 9, 2024
First-principle investigation of structural, electronic, and phase stabilities in chalcopyrite semiconductors: insights from Meta-GGA functionals
Dimple Rani, Subrata Jana, Manish K Niranjan, et al.
The Journal of Chemical Physics
|
February 3, 2020
Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response
Subrata Jana, Abhilash Patra, Lucian A Constantin, et al.
The Journal of Chemical Physics
|
July 15, 2022
Solid-state performance of a meta-GGA screened hybrid density functional constructed from Pauli kinetic enhancement factor dependent semilocal exchange hole
Subrata Jana, Lucian A Constantin, Szymon Śmiga, et al.
Journal of Chemical Theory and Computation
|
November 18, 2020
Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms
Subrata Jana, Szymon Śmiga, Lucian A Constantin, et al.
The Journal of Chemical Physics
|
September 3, 2020
Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions
Abhilash Patra, Subrata Jana, Lucian A Constantin, et al.
The Journal of Chemical Physics
|
November 30, 2019
Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems
Rabeet Singh, Bikash Patra, Abhilash Patra, et al.
The Journal of Chemical Physics
|
September 23, 2021
Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids
Subrata Jana, Hemanadhan Myneni, Szymon Śmiga, et al.
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of 5
Search research articles
Search
Showing results (21-30 of 43) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
June 12, 2026
Nonlocal Orbital-Free Kinetic Energy Functional from the Jellium-with-Gap Model for Finite Systems
Abhishek Bhattacharjee, Subrata Jana, Szymon Śmiga, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 31, 2019
Laplacian free and asymptotic corrected semilocal exchange potential applied to the band gap of solids
Abhilash Patra, Subrata Jana, Hemanadhan Myneni, et al.
The Journal of Physical Chemistry. A
|
October 9, 2023
Semilocal Meta-GGA Exchange-Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations
Subrata Jana, Szymon Śmiga, Lucian A Constantin, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 9, 2024
First-principle investigation of structural, electronic, and phase stabilities in chalcopyrite semiconductors: insights from Meta-GGA functionals
Dimple Rani, Subrata Jana, Manish K Niranjan, et al.
The Journal of Chemical Physics
|
February 3, 2020
Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response
Subrata Jana, Abhilash Patra, Lucian A Constantin, et al.
The Journal of Chemical Physics
|
July 15, 2022
Solid-state performance of a meta-GGA screened hybrid density functional constructed from Pauli kinetic enhancement factor dependent semilocal exchange hole
Subrata Jana, Lucian A Constantin, Szymon Śmiga, et al.
Journal of Chemical Theory and Computation
|
November 18, 2020
Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms
Subrata Jana, Szymon Śmiga, Lucian A Constantin, et al.
The Journal of Chemical Physics
|
September 3, 2020
Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions
Abhilash Patra, Subrata Jana, Lucian A Constantin, et al.
The Journal of Chemical Physics
|
November 30, 2019
Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems
Rabeet Singh, Bikash Patra, Abhilash Patra, et al.
The Journal of Chemical Physics
|
September 23, 2021
Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids
Subrata Jana, Hemanadhan Myneni, Szymon Śmiga, et al.
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