58 results on '"Cohen, Aron J."'
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2. Performance of a one-parameter correlation factor for transcorrelation: Study on a series of second row atomic and molecular systems
3. Pushing the frontiers of density functionals by solving the fractional electron problem
4. Transcorrelated coupled cluster methods
5. Binding curve of the beryllium dimer using similarity-transformed FCIQMC: Spectroscopic accuracy with triple-zeta basis sets
6. Similarity transformation of the electronic Schrödinger equation via Jastrow factorization
7. Exact Density Functional Obtained via the Levy Constrained Search
8. Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory
9. Landscape of an exact energy functional
10. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies
11. Local Scaling Correction for Reducing Delocalization Error in Density Functional Approximations
12. Qualitative breakdown of the unrestricted Hartree-Fock energy
13. Dramatic changes in electronic structure revealed by fractionally charged nuclei
14. The derivative discontinuity of the exchange–correlation functional
15. Extension of many-body theory and approximate density functionals to fractional charges and fractional spins
16. Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theory
17. Optimized effective potential for calculations with orbital-free potential functionals
18. Analytical evaluation of Fukui functions and real-space linear response function
19. Failure of the random-phase-approximation correlation energy
20. Insight and progress in density functional theory
21. Challenges for Density Functional Theory
22. Improving Band Gap Prediction in Density Functional Theory from Molecules to Solids
23. Revealing Noncovalent Interactions
24. Second-Order Perturbation Theory with Fractional Charges and Fractional Spins
25. Discontinuous Nature of the Exchange-Correlation Functional in Strongly Correlated Systems
26. Delocalization errors in density functionals and implications for main-group thermochemistry
27. A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymes
28. Fractional spins and static correlation error in density functional theory
29. Insights into Current Limitations of Density Functional Theory
30. Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction
31. Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: Fractional electron approach
32. Size extensivity of the direct optimized effective potential method
33. Fractional charge perspective on the band gap in density-functional theory
34. Optimized effective potentials from electron densities in finite basis sets
35. Assessment and formal properties of exchange-correlation functionals constructed from the adiabatic connection
36. Evaluation of ⟨Ŝ2⟩ in density functional theory
37. Development of exchange-correlation functionals with minimal many-electron self-interaction error
38. Transition metal NMR chemical shifts from optimized effective potentials
39. Many-electron self-interaction error in approximate density functionals
40. Self-interaction-free exchange-correlation functional for thermochemistry and kinetics
41. Influence of Coulomb-attenuation on exchange–correlation functional quality
42. Analytic energy gradients of the optimized effective potential method
43. Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials
44. Hartree–Fock orbitals which obey the nuclear cusp condition
45. Calculation of nuclear magnetic resonance shielding constants using potential-based methods
46. Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets
47. Density functional calculations, using Slater basis sets, with exact exchange
48. Density functional generalized gradient calculations using Slater basis sets
49. Constructing a map from the electron density to the exchange–correlation potential
50. Left–right and dynamic correlation
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