Publications

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Publications in 2019

1. Mezei, P.D., Ruzsinszky, A.
Reducing the many-electron self-interaction error in the second-order screened exchange method,
submitted.

2. Gould, T. Perdew, J. P., Ruzsinszky, A.
A simple self-interaction correction to RPA-like correlation energies,
to appear in Phys. Rev. A

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,
to appear in npj Computational Materials

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 J. Chem. Theo. and Comp.

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.
The role of defect-defect interaction in bonding on surfaces,
to be submitted.

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,
submitted to Phys. Rev. Lett.

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