Area of research
Atomic and Molecular Physics, and Optics · Spectroscopy
Research interest
Research interests include Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Advanced NMR Techniques and Applications, and Molecular spectroscopy and chirality.
Coupled cluster theory on modern heterogeneous supercomputers
Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers
Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies
Cluster perturbation theory. II. Excitation energies for a coupled cluster target state
Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies
Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties
Cluster perturbation theory. V. Theoretical foundation for cluster linear target states
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