50 results on '"Toulouse, Julien"'
Search Results
2. Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies
3. Photoionization and core resonances from range-separated time-dependent density-functional theory for open-shell states: Example of the lithium atom
4. Photoionization and core resonances from range-separated density-functional theory: General formalism and example of the beryllium atom
5. Basis-set correction for coupled-cluster estimation of dipole moments
6. Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model
7. Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections
8. Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?
9. Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method
10. Relativistic short-range exchange energy functionals beyond the local-density approximation
11. A basis-set error correction based on density-functional theory for strongly correlated molecular systems
12. Chemically accurate excitation energies with small basis sets
13. Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations
14. Linear-response range-separated density-functional theory for atomic photoexcitation and photoionization spectra
15. A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA
16. Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density
17. Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach
18. Four-component relativistic range-separated density-functional theory: Short-range exchange local-density approximation
19. Multiconfigurational short-range density-functional theory for open-shell systems
20. A general range-separated double-hybrid density-functional theory
21. Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets
22. Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method
23. Blind test of density-functional-based methods on intermolecular interaction energies
24. Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel
25. Range-separated double-hybrid density-functional theory applied to periodic systems
26. Erratum: “Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights” [J. Chem. Phys. 142, 154123 (2015)]
27. Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights
28. Basis convergence of range-separated density-functional theory
29. Excitation energies along a range-separated adiabatic connection
30. Double-hybrid density-functional theory applied to molecular crystals
31. Double-hybrid density-functional theory with meta-generalized-gradient approximations
32. Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
33. Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients
34. A multiconfigurational hybrid density-functional theory
35. Approaching chemical accuracy with quantum Monte Carlo
36. Communication: Rationale for a new class of double-hybrid approximations in density-functional theory
37. Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions
38. Quantum Monte Carlo with Jastrow-valence-bond wave functions
39. Double-hybrid density-functional theory made rigorous
40. Basis set construction for molecular electronic structure theory: Natural orbital and Gauss–Slater basis for smooth pseudopotentials
41. About the collapse of the 3.3 μm CH stretching band with ionization in polycyclic aromatic hydrocarbons: Configuration interaction and quantum Monte Carlo studies of the CH fragment
42. Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
43. Compact and flexible basis functions for quantum Monte Carlo calculations
44. Excited states of methylene from quantum Monte Carlo
45. Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules
46. Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density
47. Optimization of quantum Monte Carlo wave functions by energy minimization
48. On the universality of the long-/short-range separation in multiconfigurational density-functional theory
49. Short-range exchange and correlation energy density functionals: Beyond the local-density approximation
50. Validation and assessment of an accurate approach to the correlation problem in density functional theory: The Kriger–Chen–Iafrate–Savin model
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.