Area of research
Atomic and Molecular Physics, and Optics · Physical and Theoretical Chemistry
Research interest
Research interests include Advanced Chemical Physics Studies, Inorganic Fluorides and Related Compounds, Photochemistry and Electron Transfer Studies, and Crystallography and molecular interactions.
Dyson orbitals and chemical bonding
Excess electrons bound to H<sub>2</sub>S trimer and tetramer clusters
Double Rydberg anions with solvated ammonium kernels: Electron binding energies and Dyson orbitals
Carborane superhalide bases and their conjugate Brønsted-Lowry Superacids: Electron binding energies and Dyson orbitals
Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and Paramagnetic
Do Dyson Orbitals resemble canonical Hartree–Fock orbitals?
Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
Composite electron propagator methods for calculating ionization energies
Comment on “Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study” by M.-M. Li, J.-F. Li, H.-C. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, <b>17</b>, 20338
Comment on: “Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double‐Bridged [Mg<sub>2</sub>(CN)<sub>5</sub>]<sup>−1</sup> Anions” by Li et al.
CaH Rydberg series, oscillator strengths and photoionization cross sections from Molecular Quantum Defect and Dyson Orbital theories
Comment on “Are polynuclear superhalogens without halogen atoms probable? A high-level <i>ab initio</i> case study on triple-bridged binuclear anions with cyanide ligands” [J. Chem. Phys. 140, 094301 (2014)]
A generalized any-particle propagator theory: Prediction of proton affinities and acidity properties with the proton propagator