Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states

Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3

(2009) Stephan P. A. Sauer et al.   Journal of Chemical Theory and Computation

Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: The implementation for low-lying excited states

(2008) Tao Fang et al.   JOURNAL OF CHEMICAL PHYSICS

Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: The formula for general active spaces and its applications for multibond breaking systems

(2008) Tao Fang et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

(2008) Mario R. Silva-Junior et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS

Spectroscopic Constants of Single-Bond Diatomic Molecules and Singlet−Triplet Gaps of Diradicals by the Block-Correlated Coupled Cluster Theory

(2008) Jun Shen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for the Prediction of Activation Barriers, Spectroscopic Constants in Diatomic Molecules, and Singlet−Triplet Gaps in Diradicals

(2008) Jun Shen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Singlet-triplet gaps in substituted carbenes predicted from block-correlated coupled cluster method

(2008) Jun Shen et al.   Science in China. Series B, Chemistry