Area of research
Atomic and Molecular Physics, and Optics · Electrical and Electronic Engineering
Research interest
Research interests include Advanced Chemical Physics Studies, Molecular Junctions and Nanostructures, Spectroscopy and Quantum Chemical Studies, and Molecular Spectroscopy and Structure.
Green’s function methods: theory and applications for ionization potentials and electron affinities
Forty Years of Response Function Theory
Simplified Ring and Ladder Renormalizations in Electron-Propagator Calculations of Molecular Ionization Energies
Electron-propagator methods versus experimental ionization energies
New-Generation Electron-Propagator Methods for Molecular Electron-Binding Energies
<i>Ab Initio</i> Electron Propagators with an Hermitian, Intermediately Normalized Superoperator Metric Applied to Vertical Electron Affinities
New-generation electron-propagator methods for vertical electron detachment energies of molecular anions: benchmarks and applications to model green-fluorescent-protein chromophores
Electron Binding Energies of Open-Shell Species from Diagonal Electron-Propagator Self-Energies with Unrestricted Hartree–Fock Spin–Orbitals
Ultrafast Excited State Dynamics of a Verdazyl Diradical System
Electron Propagator Theory of Vertical Electron Detachment Energies of Anions: Benchmarks and Applications to Nucleotides
A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies
New-Generation Electron-Propagator Methods for Calculations of Electron Affinities and Ionization Energies: Tests on Organic Photovoltaic Molecules
Coupled cluster theory on modern heterogeneous supercomputers
Erratum: “A new generation of diagonal self-energies for the calculation of electron removal energies” [J. Chem. Phys 155, 204107 (2021)]
Dyson orbitals and chemical bonding
Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers
Electron Propagator Self-Energies versus Improved GW100 Vertical Ionization Energies
Double Rydberg anions, Rydberg radicals and micro-solvated cations with ammonium–water kernels
A new generation of diagonal self-energies for the calculation of electron removal energies
Electron binding energies and Dyson orbitals of OnH2n+1+,0,− clusters: Double Rydberg anions, Rydberg radicals, and micro-solvated hydronium cations
Ionization Energies and Dyson Orbitals of the Iso-electronic SO<sub>2</sub>, O<sub>3</sub>, and S<sub>3</sub> Molecules from Electron Propagator Calculations
Relativistic electron detachment energies and spin–orbit splittings from quasiparticle electron propagator calculations
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
Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH<sub>3</sub>)<sub>4</sub>@12NH<sub>3</sub>, M = Li, Be<sup>+</sup>, B<sup>2+</sup>
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
Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH<sub>3</sub>)0,±6