Related papers: Dissociative Recombination of CF$^+$
We apply relativistic configuration-interaction method coupled with many-body perturbation theory (CI+MBPT) to describe low-energy dielectronic recombination. We combine the CI+MBPT approach with the complex rotation method (CRM) and…
We examine the effects of low-temperature, or $\Delta$$n = 0$, dielectronic recombination (DR) on the ionization balance of the Fe M-Shell (Fe IX through Fe XVI). Since $\Delta$$n = 0$ rates are not available for these ions, we have derived…
In previous papers we showed that a division of the f-shell into two subsystems gives a better understanding of cohesive properties as well the general behavior of lanthanide systems. In this paper we present numerical computations using…
The radiative recombination of a free electron into an excited state of a bare, high-Z ion is studied, together with its subsequent decay, within the framework of the density matrix theory and Dirac's relativistic equation. Special…
In this paper, we discuss the dissociative electron attachment process in Formic Acid and Propyl Amine. These are molecules containing more than one functional group and have low symmetry (Cs group). We measured the kinetic energy and…
We present a study of multiphoton dissociative ionization from molecules. By solving the time-dependent Schr\"{o}dinger equation for H$_2^+$ and projecting the solution onto double continuum scattering states, we observe the correlated…
We employ the closed-shell perturbed relativistic coupled-cluster (RCC) theory developed by us earlier [Phys. Rev. A {\bf 77}, 062516 (2008)] to evaluate the ground state static electric dipole polarizabilities (\alpha s) of several atomic…
In this paper we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor-bridge-acceptor…
Multichannel quantum defect theory is applied in the treatment of the dissociative recombination and vibrational excitation processes for the BeD$^+$ ion in the twenty four vibrational levels of its ground electronic state…
In this paper we discuss how through the process of applying the Fourier transform to solutions of the Schr\"odinger equation in the Close Coupling approach, good results for the ionization differential cross section in energy for electrons…
Most astrophysical plasmas entail a balance between ionization and recombination. We present new results from the powerful R-matrix method which yields in an ab initio manner: (I) self-consistent photoionization and recombination cross…
LDA+DMFT is a novel computational technique for ab initio investigations of real materials with strongly correlated electrons, such as transition metals and their oxides. It combines the strength of conventional band structure theory in the…
The synergy between high-resolution rotational spectroscopy and quantum-chemical calculations is essential for exploring future detection of molecules, especially when spectroscopy parameters are not available yet. By using highly…
We demonstrate, based on low-temperature scanning tunneling microscopy (STM) and spectroscopy, a pronounced negative differential resistance (NDR) in spin-crossover (SCO) molecular devices, where a Fe$^{\text{II}}$ SCO molecule is deposited…
The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…
We report a combined experimental and theoretical study on the formation of O2+ by electronimpact double ionization and fragmentation of carbon dioxide (CO2) molecule. Through fragment ions and electron coincidence momentum imaging, we…
A new application of the density matrix renormalization group (DMRG) method to a system composed of an interacting dot coupled to a infinite one dimensional lead is presented. This method enables one to study the influence of the coupling…
We study diffractive scattering cross sections, focusing on the rapidity gap distribution in realistic kinematics at future electron-ion colliders. Our study consists in numerical solutions of the QCD evolution equations in both fixed and…
Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…
Classical molecular dynamics (MD) simulations and quantum chemical density functional theory (DFT) calculations have been employed in the present study to investigate the solvation of lithium cations in pure organic carbonate solvents…