Area of research
Atomic and Molecular Physics, and Optics · Materials Chemistry
Research interest
Research interests include Computer science, Coupled cluster, Perturbation theory (quantum mechanics), Perturbation (astronomy), Cluster (spacecraft), and Atomic orbital.
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces
Error Control and Automatic Detection of Reference Active Spaces in Many-Body Expanded Full Configuration Interaction
Exploiting Non-Abelian Point-Group Symmetry to Estimate the Exact Ground-State Correlation Energy of Benzene in a Polarized Split-Valence Triple-Zeta Basis Set
Symmetrization of Localized Molecular Orbitals
Incremental treatments of the full configuration interaction problem
Recent developments in the P<scp>y</scp>SCF program package
The Ground State Electronic Energy of Benzene
Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime
Generalized Many-Body Expanded Full Configuration Interaction Theory
Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime
Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit
Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions
Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. II. Quadruples expansions
Convergence of coupled cluster perturbation theory
On the convergence of perturbative coupled cluster triples expansions: Error cancellations in the CCSD(T) model and the importance of amplitude relaxation
Communication: The performance of non-iterative coupled cluster quadruples models
A Lagrangian framework for deriving triples and quadruples corrections to the CCSD energy
Equation-of-motion coupled cluster perturbation theory revisited
The <scp>D</scp>alton quantum chemistry program system