Related papers: A TDDFT-based Study on the Proton-DNA Collision
We present a systematic Density Functional Theory (DFT) study of geometries and energies of the nucleic acid DNA bases (guanine, adenine, cytosine and thymine) and 30 different DNA base-pairs. We use a recently developed linear-scaling DFT…
The Time-dependent Hartree-Fock (TDHF) theory is applied to the study of heavy ion collisions at energies around the Coulomb barrier. The competition between fusion and nucleon transfer mechanisms is investigated. For intermediate mass…
We present a detailed study of the optical absorption spectra of DNA bases and base pairs, carried out by means of time dependent density functional theory. The spectra for the isolated bases are compared to available theoretical and…
Inclusive four-jet events produced in proton-proton collisions at a centre-of-mass energy of $\sqrt{s} = 7$ TeV are analysed for the presence of hard double-parton scattering using data corresponding to an integrated luminosity of 37.3…
A search is presented for high-mass exclusive diphoton production via photon-photon fusion in proton-proton collisions at $\sqrt{s}$ = 13 TeV in events where both protons survive the interaction. The analysis utilizes data corresponding to…
The processes of electron excitation, capture, and ionization were investigated in proton collisions with atomic hydrogen in the initial $n=1$ and $n=2$ states at impact energies from 1 to 300 keV. The theoretical analysis is based on the…
This comprehensive study delves into the intricate interplay between protons and organic polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence of the spatial electron density distribution on stopping…
We present a detailed analysis of several time-dependent DFT (TD-DFT) methods, including conventional hybrid functionals and two types of non-empirically tuned range-separated functionals, for predicting a diverse set of electronic…
In the past two decades, many research groups worldwide have tried to understand and categorize simple regimes in the charge transfer of such biological systems as DNA. Theoretically speaking, the lack of exact theories for electron-nuclear…
Collisions of actinide nuclei form, during very short times of few zs ($10^{-21}$ s), the heaviest ensembles of interacting nucleons available on Earth. Such collisions are used to produce super-strong electric fields by the huge number of…
The $dp\to dp$ and $dd\to ^3He n$ reactions are considered in the energy range from few hundred MeV up to 1 GeV. The approach is based on the multiple-scattering theory, where the few-body collisions are presented through two-body ones. The…
It is a standard exercise in mechanical engineering to infer the external forces and torques on a body from its static shape and known elastic properties. Here we apply this kind of analysis to distorted double-helical DNA in complexes with…
In the present paper we address the general problem of selective electrodynamic interactions between DNA and protein, which is motivated by decades of theoretical study and our very recent experimental findings (M. Lechelon et al,…
In the context of damage to DNA by low-energy electrons, we carry out calculations of electron scattering from tetrahydrofuran and phosphoric acid, models of the subunits in the DNA backbone, as a first step in simulating the electron…
The dijet double-differential cross section is measured as a function of the dijet invariant mass, using data taken during 2010 and during 2011 with the ATLAS experiment at the LHC, with a center-of-mass energy of 7 TeV. The measurements…
We study charged particle production in proton-antiproton collisions at 300 GeV, 900 GeV, and 1.96 TeV. We use the direction of the charged particle with the largest transverse momentum in each event to define three regions of eta-phi…
In this article, we investigate the role of the self-interaction error in the simulation of collisions using time-dependent density functional theory (TDDFT) and Ehrenfest dynamics. We compare many different approximations of the exchange…
Background: The study of deep-inelastic reactions of nuclei provide a vehicle to investigate nuclear transport phenomena for a full range of equilibration dynamics. These inquires provide us the ingredients to model such phenomena and help…
Positions of protons in DNA hydrogen bonds are fundamental for the fidelity of the replication process. Because the hydrogen bond is partially covalent the electronic structure of DNA plays an important role in the replication process.…
Exchange interactions are a manifestation of the quantum mechanical nature of the electrons and play a key role in predicting the properties of materials from first principles. In density functional theory (DFT), a widely used approximation…