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Niraj K. Nepal
Niraj K. Nepal
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Title
Cited by
Cited by
Year
Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories
JP Perdew, A Ruzsinszky, J Sun, NK Nepal, AD Kaplan
Proceedings of the National Academy of Sciences 118 (4), e2017850118, 2021
812021
Stretched or noded orbital densities and self-interaction correction in density functional theory
C Shahi, P Bhattarai, K Wagle, B Santra, S Schwalbe, T Hahn, J Kortus, ...
The Journal of Chemical Physics 150 (17), 2019
672019
First-principles study of mechanical and electronic properties of bent monolayer transition metal dichalcogenides
NK Nepal, L Yu, Q Yan, A Ruzsinszky
Physical Review Materials 3 (7), 073601, 2019
502019
Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations
B Neupane, H Tang, NK Nepal, S Adhikari, A Ruzsinszky
Physical Review Materials 5 (6), 063803, 2021
312021
Tunable band gaps and optical absorption properties of bent MoS2 nanoribbons
H Tang, B Neupane, S Neupane, S Ruan, NK Nepal, A Ruzsinszky
Scientific Reports 12 (1), 3008, 2022
302022
Constraint-based wave vector and frequency dependent exchange-correlation kernel of the uniform electron gas
A Ruzsinszky, NK Nepal, JM Pitarke, JP Perdew
Physical Review B 101 (24), 245135, 2020
292020
Formation energy puzzle in intermetallic alloys: Random phase approximation fails to predict accurate formation energies
NK Nepal, S Adhikari, B Neupane, A Ruzsinszky
Physical Review B 102 (20), 205121, 2020
202020
The Fermi–Löwdin self-interaction correction for ionization energies of organic molecules
S Adhikari, B Santra, S Ruan, P Bhattarai, NK Nepal, KA Jackson, ...
The Journal of Chemical Physics 153 (18), 2020
192020
Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods
NK Nepal, A Ruzsinszky, JE Bates
Physical Review B 97 (11), 115140, 2018
192018
First-principles wave-vector-and frequency-dependent exchange-correlation kernel for jellium at all densities
AD Kaplan, NK Nepal, A Ruzsinszky, P Ballone, JP Perdew
Physical Review B 105 (3), 035123, 2022
172022
Treating different bonding situations: Revisiting Au-Cu alloys using the random phase approximation
NK Nepal, S Adhikari, JE Bates, A Ruzsinszky
Physical Review B 100 (4), 045135, 2019
162019
Bending as a control knob for the electronic and optical properties of phosphorene nanoribbons
B Neupane, H Tang, NK Nepal, A Ruzsinszky
Physical Review Materials 6 (1), 014010, 2022
102022
Understanding plasmon dispersion in nearly free electron metals: Relevance of exact constraints for exchange-correlation kernels within time-dependent density functional theory
NK Nepal, S Adhikari, B Neupane, S Ruan, S Neupane, A Ruzsinszky
Physical Review B 101 (19), 195137, 2020
92020
Progress towards understanding ultranonlocality through the wave-vector and frequency dependence of approximate exchange-correlation kernels
NK Nepal, AD Kaplan, JM Pitarke, A Ruzsinszky
Physical Review B 104 (12), 125112, 2021
52021
Describing adsorption of benzene, thiophene, and xenon on coinage metals by using the Zaremba–Kohn theory-based model
S Adhikari, NK Nepal, H Tang, A Ruzsinszky
The Journal of Chemical Physics 154 (12), 2021
52021
Origin of charge density wave in topological semimetals SrAl4 and EuAl4
LL Wang, NK Nepal, PC Canfield
Communications Physics 7 (1), 111, 2024
42024
Imaginary phonon modes and phonon-mediated superconductivity in
NK Nepal, PC Canfield, LL Wang
Physical Review B 109 (5), 054518, 2024
42024
HTESP (High-throughput electronic structure package): A package for high-throughput ab initio calculations
NK Nepal, PC Canfield, LL Wang
Computational Materials Science 244, 113247, 2024
22024
Molecular dynamics study of diffusion of xenon in water at different temperatures
NK Nepal, NP Adhikari
Sci Bruneiana 16 (2), 12-22, 2017
12017
Design and Predict Tetragonal van der Waals Layered Quantum Materials of MPd5I2 (M= Ga, In and 3d Transition Metals)
NK Nepal, T Slade, J Blawat, A Eaton, J Palmstrom, B Ueland, A Kaminski, ...
2024
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