Search

Your search keyword '"Ruzsinszky, Adrienn"' showing total 144 results

Search Constraints

Start Over You searched for: Author "Ruzsinszky, Adrienn" Remove constraint Author: "Ruzsinszky, Adrienn" Search Limiters Full Text Remove constraint Search Limiters: Full Text
144 results on '"Ruzsinszky, Adrienn"'

Search Results

1. A meta-generalized gradient approximation-based time-dependent and dielectric function dependent method for optical properties of solid materials

2. Exploring control of the emergent exciton insulator state in 1T-TiSe$_2$ monolayer by state-of-the-art theory models

Catalog

Books, media, physical & digital resources

3. Inside the Working Mechanism of Meta-generalized Gradient Density Functional Approximations: The Example of Quantum Spin-Hall Insulator 1T`-WTe2

4. Effect of Strain on the Band Gap of Monolayer MoS$_2$

5. A Pathway to Efficient Simulations of Charge Density Waves in Transition Metal Dichalcogenides: A Case Study for TiSe2

6. Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa$_2$Cu$_3$O$_6$

7. Revealing quasi-excitations in the low-density homogeneous electron gas with model exchange-correlation kernels

9. Revealing quasi-excitations in the low-density homogeneous electron gas with model exchange–correlation kernels

10. Defect-induced states, defect-induced phase transition and excitonic states in bent transition metal dichalcogenide (TMD) nanoribbons: density functional vs. many body theory

11. Bending effects and optical properties of WSe2 nanoribbons of topological phase

12. Spin-polarization anisotropy included by mechanical bending in tungsten diselenide nanoribbons and tunable excitonic states

13. Controllable optical and magneto-optical properties of magnetic CrI3 nanoribbons

14. Bending as a control knob for the electronic and optical properties of phosphorene nanoribbons

15. Tunable band gaps and optical absorption properties of bent MoS$_2$ nanoribbons

16. Self-interaction corrected Kohn-Sham effective potentials using the density-consistent effective potential method

17. First-principles wavevector- and frequency-dependent exchange-correlation kernel for jellium at all densities

18. Progress towards understanding ultranonlocality through the wavevector and frequency dependence of approximate exchange-correlation kernels

19. Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations

20. Exploring and enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction

21. Resolving the structure-energy dilemma at organic-inorganic interfaces: Adsorption of benzene, thiophene, and xenon over coinage metal surfaces

22. The Fermi-L\'owdin self-interaction correction for ionization energies of organic molecules

23. Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories

24. Formation energy puzzle in intermetallic alloys: Random phase approximation fails to predict accurate formation energies

25. Constraint-based Wavevector- and Frequency-dependent Exchange-Correlation Kernel of the Uniform Electron Gas

26. Examining the order-of-limits problem and lattice constant performance of the Tao--Mo Functional

27. Understanding plasmon dispersion in nearly-free-electron metals: the relevance of exact constraints for novel exchange-correlation kernels within time-dependent density functional theory

28. Revealing the role of van der Waals interactions in thiophene adsorption on copper surfaces

29. Accurate ground state- and quasiparticle energies: beyond the RPA and GW methods with adiabatic exchange-correlation kernels

30. Molecule-surface interaction from van der Waals-corrected semilocal density functionals: the example of thiophene on transition-metal surfaces

31. Treating different bonding situations: Revisiting Au-Cu alloys using the random phase approximation

32. A simple self-interaction correction to RPA-like correlation energies

33. First-principles study of mechanical and electronic properties of bent monolayer transition metal dichalcogenides

34. Stretched or noded orbital densities and self-interaction correction in density functional theory

35. The key role of antibonding electron transfer in surface chemisorption and heterogeneous catalysis

38. Negative Poisson's Ratio in 1T-Type Crystalline Two-Dimensional Transition Metal Dichalcogenides

39. Understanding Band Gaps of Solids in Generalized Kohn-Sham Theory

40. Understanding band gaps of solids in generalized Kohn-Sham theory.

41. SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials

42. Strongly Constrained and Appropriately Normed Semilocal Density Functional

44. Efficient simulations of charge density waves in the transition metal Dichalcogenide TiSe2.

45. Gedanken Densities and Exact Constraints in Density Functional Theory

46. Self Interaction Corrected Density Functional Theory with Unitary Invariance: Applications to Molecules

47. Density Functionals that Recognize Covalent, Metallic, and Weak Bonds

48. Effect of orbital-overlap dependence in density functionals

49. Kinetic energy density functionals from the Airy gas, with an application to the atomization kinetic energies of molecules

50. Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry