Related papers: Extended Born-Oppenheimer equation for tri-state s…
Results gained for electron scattering on $^3$He in a nonrelativistic framework are reviewed. The electromagnetic current is truncated to a single nucleon operator, but the interaction among the three nucleons is treated exactly. Thus…
The Schroedinger equation is solved exactly within the Born-Oppenheimer approximation for a simulacrum of the $H_3^{++}$-ion. The ion is assumed to form an isosceles triangle and the ground state energy is obtained over its geometrical…
Tracking the complex non-adiabatic transitions in far-ultraviolet photodissociation demands highly accurate diabatic potential energy matrices (PEMs) across numerous excited states. To address this, we introduce a fully automated…
Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability…
The coupled-channel Schrodinger equation with outgoing wave boundary conditions is employed to study the fine structure seen in the proton decay of deformed even-N, odd-Z rare earth nuclei 131-Eu and 141-Ho. Experimental lifetimes and…
In this paper, we introduce a new scheme for the efficient numerical treatment of the electronic Schr\"odinger equation for molecules. It is based on the combination of a many-body expansion, which corresponds to the so-called bond order…
Nonadiabatic effects in the electron-phonon coupling are important whenever the ratio between the phononic and the electronic energy scales, the adiabatic ratio, is non negligible. For superconducting systems, this gives rise to additional…
We present a systematic study of nonlinear and higher derivatives extensions of electromagnetism. We clarify when action functionals S[F] can be explicitly obtained from arbitrary (not necessarily self-dual) nonlinear equations of motion.…
We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…
We consider three-body systems in two dimensions with zero-range interactions for general masses and interaction strengths. The momentum-space Schr\"odinger equation is solved numerically and in the Born-Oppenheimer (BO) approximation. The…
Nonadiabatic dressed states of a quantum system interacting with an external electromagnetic field and the environment are presented. The relevant matrix elements within the specified states are found. A closed form expression of the…
We present a theoretical study of the rotational dynamics of asymmetry top molecules in an electric field and a parallel non-resonant linearly polarized laser pulse. The time-dependent Schr\"odinger equation is solved within the rigid rotor…
Euler angles determining rotations of a system as a whole are conveniently separated in three-particle basis functions. Analytic integration of matrix elements over Euler angles is done in a general form. Results for the Euler angle…
This paper investigates the possible use of the Hyperspherical Adiabatic basis in the description of scattering states of a three-body system. In particular, we analyze a 1+2 collision process below the three-body breakup. The convergence…
We consider a formulation of the algebraic Bethe ansatz for the six vertex model with non-diagonal open boundaries. Specifically, we study the case where both left and right $K$-matrices have an upper triangular form. We show that the main…
Most microscopic descriptions of structural dynamics assume the Born-Oppenheimer separation, where electrons adjust adiabatically to ionic motion. When this separation breaks down, electronic and lattice degrees of freedom can evolve on…
Solid state quantum computing proposals rely on adiabatic operations of the exchange gate among localized spins in nanostructures. We study corrections to the Heisenberg interaction between lateral semiconductor quantum dots in an external…
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…
An exactly solvable strongly correlated electron model with two independent parameters is constructed in the frame of the quantum inverse scattering method, which can be seen as a generalization of the Bariev model. Through the Bethe ansatz…
We present a new tripartite entanglement measure for three-qubit mixed states. The new measure $t_{\mathrm{r}}(\rho)$, which we refer to as the r-tangle, is given as a kind of the tangle, but has a feature which the tangle does not have; if…