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Niraj K Nepal
Niraj K Nepal
Ames National Laboratory
Verified email at ameslab.gov - Homepage
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
712021
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
662019
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
262021
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
242022
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
232020
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
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
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
172020
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
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
112022
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
92022
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
72020
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
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
42021
Imaginary phonon modes and phonon-mediated superconductivity in
NK Nepal, PC Canfield, LL Wang
Physical Review B 109 (5), 054518, 2024
12024
Molecular dynamics study of diffusion of xenon in water at different temperatures
NK Nepal, NP Adhikari
Sci Bruneiana 16 (2), 12-22, 2017
12017
Origin of charge density wave in topological semimetals SrAl4 and EuAl4
LL Wang, NK Nepal, PC Canfield
Communications Physics 7 (1), 111, 2024
2024
Optoelectronic properties of bent two-dimensional materials from first-principles methods combined with machine learning
A Ruzsinszky, H Tang, S Neupane, L Yin, Q Yan, JM Breslin, NK Nepal, ...
Temple Univ., Philadelphia, PA (United States), 2023
2023
First-principles, spatially-and temporally-nonlocal exchange-correlation kernel for jellium at all densities
A Kaplan, N Nepal, A Ruzsinszky, P Ballone, J Perdew
APS March Meeting Abstracts 2022, M01. 005, 2022
2022
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