Articles with public access mandates - Lucian ConstantinLearn more
Not available anywhere: 2
Accurate density functional made more versatile
S Jana, SK Behera, S Śmiga, LA Constantin, P Samal
The Journal of Chemical Physics 155 (2), 2021
Mandates: National Science Centre, Poland
Solid-state performance of a meta-GGA screened hybrid density functional constructed from Pauli kinetic enhancement factor dependent semilocal exchange hole
S Jana, LA Constantin, S Śmiga, P Samal
The Journal of Chemical Physics 157 (2), 2022
Mandates: National Science Centre, Poland
Available somewhere: 14
Laplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional …
S Laricchia, LA Constantin, E Fabiano, F Della Sala
Journal of chemical theory and computation 10 (1), 164-179, 2014
Mandates: European Commission
Generalized gradient approximation correlation energy functionals based on the uniform electron gas with gap model
E Fabiano, PE Trevisanutto, A Terentjevs, LA Constantin
Journal of Chemical Theory and Computation 10 (5), 2016-2026, 2014
Mandates: European Commission
Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids
S Jana, SK Behera, S Śmiga, LA Constantin, P Samal
New Journal of Physics 23 (6), 063007, 2021
Mandates: National Science Centre, Poland
Kernel-corrected random-phase approximation for the uniform electron gas and jellium surface energy
A Ruzsinszky, LA Constantin, JM Pitarke
Physical Review B 94 (16), 165155, 2016
Mandates: US National Science Foundation
Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study
A Ghosh, S Jana, T Rauch, F Tran, MAL Marques, S Botti, LA Constantin, ...
The Journal of Chemical Physics 157 (12), 2022
Mandates: Volkswagen Foundation, Department of Science & Technology, India
Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals
AV Terentjev, LA Constantin, E Artacho, JM Pitarke
Physical Review B 100 (23), 235439, 2019
Mandates: Government of Spain
Correct and accurate polymorphic energy ordering of transition-metal monoxides obtained from semilocal and onsite-hybrid exchange-correlation approximations
A Ghosh, S Jana, MK Niranjan, F Tran, D Wimberger, P Blaha, ...
The Journal of Physical Chemistry C 126 (34), 14650-14660, 2022
Mandates: Department of Science & Technology, India
Improved electronic structure prediction of chalcopyrite semiconductors from a semilocal density functional based on Pauli kinetic energy enhancement factor
A Ghosh, S Jana, MK Niranjan, SK Behera, LA Constantin, P Samal
Journal of Physics: Condensed Matter 34 (7), 075501, 2021
Mandates: Department of Science & Technology, India
Benchmark test of a dispersion corrected revised Tao–Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids
S Jana, H Myneni, S Śmiga, LA Constantin, P Samal
The Journal of Chemical Physics 155 (11), 2021
Mandates: National Science Centre, Poland
First principles optical spectra of the β-SiC (0 0 1)/Al interface
A Terentjevs, PE Trevisanutto, LA Constantin, F Della Sala
Journal of Physics: Condensed Matter 26 (26), 265006, 2014
Mandates: European Commission
Adiabatic connection interaction strength interpolation method made accurate for the uniform electron gas
LA Constantin, S Jana, S Śmiga, F Della Sala
The Journal of Chemical Physics 159 (24), 2023
Mandates: National Science Centre, Poland
Semilocal Meta-GGA Exchange–Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations
S Jana, S Smiga, LA Constantin, P Samal
The Journal of Physical Chemistry A 127 (41), 8685-8697, 2023
Mandates: National Science Centre, Poland
Towards adiabatic-connection interpolation model with broader applicability
LA Constantin, S Śmiga, F Della Sala
Physical Review B 109 (23), 235129, 2024
Mandates: National Science Centre, Poland
Meta-generalized gradient approximation of adiabatic connection semilocal correlation functional
S Jana, S Śmiga, LA Constantin, P Samal
arXiv e-prints, arXiv: 2212.04610, 2022
Mandates: National Science Centre, Poland
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