Jun Shen

activity

20202026

most citedThe Ground State Electronic Energy of Benzene

156 citations · 332 across the 11 of their papers we have counts for

collaborators

Showing 2024Show all

2 papers · 1 filter

physics.chem-ph2024★ 6 cited

Extension of the Active-Orbital-Based and Adaptive CC( $P$ ; $Q$ ) Approaches to Excited Electronic States: Application to Potential Cuts of Water

Karthik Gururangan, Jun Shen, Piotr Piecuch

We report the first study using active-orbital-based and adaptive CC( $P$ ; $Q$ ) approaches to describe excited electronic states. These CC( $P$ ; $Q$ ) methodologies are applied, alongsi…

physics.chem-ph2024★ 1 cited

The Singlet-Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC( $P$ ; $Q$ ) Study

Swati S. Priyadarsini, Karthik Gururangan, Jun Shen +1

An accurate determination of singlet-triplet gaps in biradicals, including cyclobutadiene in the automerization barrier region where one has to balance the substantial nondynamical…

Extension of the Active-Orbital-Based and Adaptive CC(P;Q) Approaches to Excited Electronic States: Application to Potential Cuts of Water

The Singlet-Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC(P;Q) Study

Extension of the Active-Orbital-Based and Adaptive CC( $P$ ; $Q$ ) Approaches to Excited Electronic States: Application to Potential Cuts of Water

The Singlet-Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC( $P$ ; $Q$ ) Study