A. Perera

activity

20152026

most citedA route to improving RPA excitation energies through its connection to equation-of-motion coupled cluster theory

16 citations · 34 across the 6 of their papers we have counts for

collaborators

Showing 2024Show all

2 papers · 1 filter

physics.chem-ph2024

An "ultimate" coupled cluster method based entirely on $T_{2}$

Zachary W. Windom, Ajith Perera, Rodney J. Bartlett

Electronic structure methods built around double-electron excitations have a rich history in quantum chemistry. However, it seems to be the case that such methods are only suitable…

physics.chem-ph2024★ 2 cited

An assessment of frozen natural orbitals and band gaps using equation of motion coupled cluster theory: a case study on polyacene and trans-polyacetylene

Zachary W. Windom, AV Lam, Ajith Perera +1

Frozen natural orbitals (FNOs) are used to augment IP/EA-EOM-CCSD calculations targeting the band gap of trans-polyacetylene and polyacene. We show the resulting electron affinitie…

An "ultimate" coupled cluster method based entirely on T2​

An assessment of frozen natural orbitals and band gaps using equation of motion coupled cluster theory: a case study on polyacene and trans-polyacetylene

An "ultimate" coupled cluster method based entirely on $T_{2}$