All Stories

  1. Coupling molecular density functional theory with converged selected configuration interaction methods to study excited states in aqueous solution

    Article • The Journal of Chemical Physics, July 2024, American Institute of Physics

    Emmanuel Giner

  2. Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies

    Article • The Journal of Chemical Physics, June 2023, American Institute of Physics

    Emmanuel Giner

  3. Basis-set correction for coupled-cluster estimation of dipole moments

    Article • The Journal of Chemical Physics, May 2022, American Institute of Physics

    Emmanuel Giner

  4. Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model

    Article • The Journal of Chemical Physics, January 2022, American Institute of Physics

    Emmanuel Giner

  5. Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?

    Article • The Journal of Chemical Physics, July 2021, American Institute of Physics

    Emmanuel Giner

  6. A new form of transcorrelated Hamiltonian inspired by range-separated DFT

    Article • The Journal of Chemical Physics, February 2021, American Institute of Physics

    Emmanuel Giner

  7. Taming the fixed-node error in diffusion Monte Carlo via range separation

    Article • The Journal of Chemical Physics, November 2020, American Institute of Physics

    Anthony Scemama, Emmanuel Giner

  8. Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method

    Article • The Journal of Chemical Physics, September 2020, American Institute of Physics

    Emmanuel Giner

  9. A basis-set error correction based on density-functional theory for strongly correlated molecular systems

    Article • The Journal of Chemical Physics, May 2020, American Institute of Physics

    Emmanuel Giner

  10. Chemically accurate excitation energies with small basis sets

    Article • The Journal of Chemical Physics, October 2019, American Institute of Physics

    Anthony Scemama, Emmanuel Giner

  11. Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density

    Article • The Journal of Chemical Physics, February 2019, American Institute of Physics

    Emmanuel Giner

  12. Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach

    Article • The Journal of Chemical Physics, November 2018, American Institute of Physics

    Emmanuel Giner

  13. Improving nodal structures of trial wave function with deterministic selected CI

    Article • Canadian Journal of Chemistry, September 2013, Canadian Science Publishing

    Michel Caffarel, Emmanuel Giner