Publications

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Publications in 2019

1. Mezei, P.D., Ruzsinszky, A and Kallay, M.
Reducing the many-electron self-interaction error in the second-order screened exchange method,
to appear in J. Chem. Theo. Comp.

2. Gould, T. Perdew, J. P., Ruzsinszky, A.
A simple self-interaction correction to RPA-like correlation energies,
Phys. Rev. A, 100, 022515 (2019)

3. Olsen, T. Patrick, C. E., Bates, J.E., Ruzsinszky, A., and Thygesen, K. S.
Accurate ground state and quasiparticle energies: Beyond the RPA and GW methods with adiabatic non-local xc-kernels,
npj Computational Materials, 5, 106 (2019)

4. Adhikari, S. Tang, H., Neupane, B., Csonka, G.I., and Ruzsinszky, A.
Molecule-surface interaction from van der Waals-corrected semilocal density functionals: the example of thiophene on transition-metal surfaces,
submitted to Phys. Rev. Mat.

5. Tang, H., Tao, J., Ruzsinszky, A., and Perdew, J.P.
A van der Waals correction to the physisorption of graphene on metal surfaces,
J. Phys. Chem. C. 123, 13748 (2019)

6. Nepal, N.K., Adhikari, S. Bates, J. E, and Ruzsinszky, A.
Treating different bonding situations: Revisiting Au-Cu alloys using the random phase approximation,
Phys. Rev. B 100, 045135 (2019)

7. Yu, L., Ruzsinszky, A., Yan, Q.
Chemisorption can Reverse Defect-Defect Interaction on Heterogeneous Catalyst Surfaces,
to appear in J. Phys. Chem. Lett.

8. Nepal, N.K., Yu, L., Yan, Q., and Ruzsinszky, A.
First-principles study of mechanical and electronic properties of bent monolayer transition metal dichalcogenides,
Phys. Rev. Mat. 3, 073601 (2019)

9. Yu, L., Yan, Q., and Ruzsinszky, A.
The Role of Antibonding-State Electron Transfer in the Design of New Solid Catalysts,
Phys. Rev. Mat. 3, 092801 (2019)

10. Shahi, C. et al,
Stretched or noded orbital densities and self-interaction correction in density functional theory,
J. Chem. Phys. 150, 174102 (2019)