Related papers: Crossing Seam Blockade
Conical intersections (CI) between molecular potential energy surfaces with non-vanishing non-adiabatic couplings generally occur in any molecule consisting of at least three atoms. They play a fundamental role in describing the molecular…
With the quantum diffusion approach the behavior of capture cross sections and mean-square angular momenta of captured systems are revealed in the reactions with deformed and spherical nuclei at sub-barrier energies. With decreasing…
Quantum interference effects and decoherence mechanisms in single-molecule junctions are analyzed employing a nonequilibrium Green's function approach. Electrons tunneling through quasi-degenerate states of a nanoscale molecular junction…
We introduce multistate metadynamics for automatic exploration of conical intersection seams between adiabatic Born-Oppenheimer potential energy surfaces in molecular systems. By choosing the energy gap between the electronic states as a…
The quasi-fission mechanism hinders fusion of heavy systems because of a mass flow between the reactants, leading to a re-separation of more symmetric fragments in the exit channel. A good understanding of the competition between fusion and…
Minimum energy conical intersections can be used to rationalize photochemical processes. In this Letter, we examine an algorithm to locate these structures that does not require the evaluation of nonadiabatic coupling vectors, showing that…
With the quantum diffusion approach the behavior of capture cross sections and mean-square angular momenta of captured systems are revealed in the reactions with deformed nuclei at subbarrier energies. The calculated results are in a good…
Nonadiabatic dynamics around an avoid crossing or a conical intersection play a crucial role in the photoinduced processes of most polyatomic molecules. The present work shows that the topological phase in conical intersection makes the…
A mechanism is considered for generating doorway states and intermediate structure in low-energy nuclear reactions as a result of collectivization of widths of unstable intrinsic states coupled to common decay channels. At the limit of…
Singlet fission, the molecular process through which photons are effectively converted into pairs of lower energy triplet excitons, holds promise as a means of boosting photovoltaic device efficiencies. In the preceding article of this…
Dissociative chemisorption is a key process in hydrogen-metal surface chemistry, where nonadiabatic effects due to low-lying electron-hole-pair excitations may affect reaction outcomes. Molecular dynamics with electronic friction…
Several ideas exist how the stringent mass limits from LHC on new coloured particles can be avoided. One idea are the so-called `stealth' scenarios in which missing transversal energy (MET) is avoided due a peculiar mass configuration. It…
A novel quantum dynamical model based on the dissipative quantum dynamics of open quantum systems is presented. It allows the treatment of both deep-inelastic processes and quantum tunneling (fusion) within a fully quantum mechanical…
Radiationless deactivation channels of 2-thiocytosine in aqueous environment are revisited by means of quantum-chemical simulations of excited-state absorption spectra, and investigations of potential energy surfaces of the chromophore…
Scattering or tunneling of an electron at a potential barrier is a fundamental quantum effect. Electron-electron interactions often affect the scattering, and understanding of the interaction effect is crucial in detection of various…
Recently it has been recognized that electronic conical intersections in molecular systems can be induced by laser light even in diatomics. As is known a direct consequence of these accidental degeneracies is the appearence of nonadiabatic…
Conical intersections between electronic potential energy surfaces are paradigmatic for the study of non-adiabatic processes in the excited states of large molecules. However, since the corresponding dynamics occurs on a femtosecond…
A variety of phenomena connected with the formation of a dinuclear complex is observed in the heavy ion collisions at low energies. The dinuclear system model allows us to analyze the experimental data and to interpret them by comparison of…
Within the Color Glass Condensate framework, we demonstrate that exclusive vector meson production at high energy is sensitive to the geometric deformation of the target nucleus and subnucleon scale fluctuations. Deformation of the nucleus…
An outstanding problem in the theory of nuclear fission is understanding the Hamiltonian dynamics at the scission point. Here we apply the Generator Coordinate Method to calculate decay widths for pre-scission configurations into the…