Login / Signup

Influence of the complete basis set approximation, tight weighted-core, and diffuse functions on the DLPNO-CCSD(T1) atomization energies of neutral H,C,O-compounds.

Yury MinenkovLuigi CavalloKirk A. Peterson
Published in: J. Comput. Chem. (2023)
Keyphrases
  • small number
  • continuous functions
  • multiscale
  • feature set
  • markov random field
  • input data
  • energy function
  • experimental data