Core Concepts
Transcorrelated methods, particularly when paired with larger basis sets and optimized Jastrow factors, offer a computationally efficient way to achieve chemical accuracy in calculating the properties of second-row atoms, outperforming traditional methods and rivaling explicitly correlated approaches.
Stats
Transcorrelated approaches led to an approximately four-fold reduction in total energy errors relative to conventional approaches.
xTC-DCSD is near or within chemical accuracy for all systems at the quadruple zeta level, with or without using core-valence basis sets.
The transcorrelated approach leads to an approximately 4-fold reduction in the error in total energies for all basis sets.