Vibronic Coupling through the Continuum in the System
We report two-dimensional electron energy-loss spectra of CO 2. The high-resolution
experiment reveals a counterintuitive fine structure at energy losses where CO 2 states form …
experiment reveals a counterintuitive fine structure at energy losses where CO 2 states form …
Spectroscopic signatures of states in the continuum characterized by a joint experimental and theoretical study of pyrrole
We report a combined experimental and theoretical investigation of electron–molecule
interactions using pyrrole as a model system. Experimental two-dimensional electron energy …
interactions using pyrrole as a model system. Experimental two-dimensional electron energy …
Solving Vibronic Dynamics in Electron Continuum
We present a general two-dimensional model of conical intersection between metastable
states that are vibronically coupled not only directly but also indirectly through a virtual …
states that are vibronically coupled not only directly but also indirectly through a virtual …
Contrasting Dynamics in Isoelectronic Anions Formed by Electron Attachment
P Nag, M Ranković, M Polášek… - The Journal of …, 2024 - ACS Publications
Cyanogen NCCN and cyanoacetylene HCCCN are isoelectronic molecules, and as such,
they have many similar properties. We focus on the bond cleavage in these induced by the …
they have many similar properties. We focus on the bond cleavage in these induced by the …
Signatures of s-wave scattering in bound electronic states
We compute EOM-EA-CCSD and EOM-EA-CCSDT potential energy curves and one-
electron properties of several anions at bond lengths close to where these states become …
electron properties of several anions at bond lengths close to where these states become …
Electron-impact vibrational excitation of isocyanic acid HNCO
In a combined experimental and theoretical study, we probe the vibrational excitation of
isocyanic acid induced by electron impact in the energy range up to 5 eV. Experimentally …
isocyanic acid induced by electron impact in the energy range up to 5 eV. Experimentally …
Computing resonance energies directly: method comparison for a model potential
JU Davis, T Sommerfeld - The European Physical Journal D, 2021 - Springer
In contrast to bound states, electronically metastable states or resonances still represent a
major challenge for quantum chemistry and molecular physics. The reason lies in the …
major challenge for quantum chemistry and molecular physics. The reason lies in the …
Electron Energy Loss Processes in Methyl Methacrylate: Excitation and Bond Breaking
TFM Luxford, J Fedor, J Kočišek - The Journal of Physical …, 2023 - ACS Publications
Details of electron-induced chemistry of methyl methacrylate (MMA) upon complexation are
revealed by combining gas-phase 2D electron energy loss spectroscopy with electron …
revealed by combining gas-phase 2D electron energy loss spectroscopy with electron …
Vibronic dynamics in electron continuum--iterative solvers
We present a general two-dimensional model of conical intersection between metastable
states that are vibronically coupled not only directly but also indirectly through a virtual …
states that are vibronically coupled not only directly but also indirectly through a virtual …