no code implementations • 9 Oct 2020 • Maximilian Mörchen, Leon Freitag, Markus Reiher
The tailored coupled cluster (TCC) approach is a promising ansatz that preserves the simplicity of single-reference coupled cluster theory, while incorporating a multi-reference wave function through amplitudes obtained from a preceding multi-configurational calculation.
Chemical Physics Strongly Correlated Electrons Atomic and Molecular Clusters Computational Physics
