Active-space coupled-cluster methods through connected quadruple excitations

• Published in: The Journal of chemical physics Vol. 124; no. 10; p. 104108
• Main Authors: Fan, Peng-Dong, Hirata, So
• Format: Journal Article
• Language: English
• Published: United States 14.03.2006

Coupled-cluster methods that include just a subset of all connected triple, quadruple, or both excitation amplitudes, according to the ansatz of and Adamowicz co-workers [Int. Rev. Phys. Chem. 12, 339 (1993); J. Chem. Phys. 99, 1875 (1993); 100, 5792 (1994)] and Piecuch et al. [J. Chem. Phys. 110, 6...