All Stories

  1. Stochastically accelerated perturbative triples correction in coupled cluster calculations
  2. TREXIO: A file format and library for quantum chemistry
  3. The effect of uncertainty on building blocks in molecules
  4. Accurate full configuration interaction correlation energy estimates for five- and six-membered rings
  5. Taming the fixed-node error in diffusion Monte Carlo via range separation
  6. Chemically accurate excitation energies with small basis sets