Related papers: A grid-based Ehrenfest model to study electron-nuc…
Electrochemical energy storage always involves the capacitive process. The prevailing electrode model used in the molecular simulation of polarizable electrode-electrolyte systems is the Siepmann-Sprik model developed for perfect metal…
We show that standard Ehrenfest dynamics does not conserve linear and angular momentum when using a basis of truncated adiabatic states. However, we also show that previously proposed effective Ehrenfest equations of…
In closed quantum systems, wavepackets can spread exponentially in time due to chaos, forming long-range superpositions in just seconds for ordinary macroscopic systems. A weakly coupled environment is conjectured to decohere the system and…
Using elements of symmetry, we constructed the Noncommutative Schr\"odinger Equation from a representation of Exotic Galilei Group. As consequence, we derive the Ehrenfest theorem using noncommutative coordinates. We also have showed others…
The thawed Gaussian Ehrenfest dynamics is a single-trajectory method that partially includes both nuclear quantum and electronically nonadiabatic effects by combining the thawed Gaussian wavepacket dynamics with Ehrenfest dynamics. First,…
Focusing on an improved approximation scheme, we present how to treat the centrifugal and the Coulombic behavior terms and then to obtain the bound state solutions of the Klein-Gordon (KG) equation with the Manning-Rosen plus a Class of…
We relax the usual diagonal constraint on the matrix representation of the eigenvalue wave equation by allowing it to be tridiagonal. This results in a larger solution space that incorporates an exact analytic solution for the non-central…
The electronic Schr\"odinger equation describes the motion of $N$ electrons under Coulomb interaction forces in a field of clamped nuclei. It is proved that its solutions for eigenvalues below the essential spectrum lie in the spectral…
An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the many-body electronic problem here resembles…
(abridged)If the space-time is presupposed, the coordinate representation of the solutions $\psi(\vec x, t)$ of the Schroedinger equation of a quantum system containing one massive scalar particle has a {\it preferred status}. It is then…
The transport approach is a useful tool to study dynamics of non-equilibrium systems. For heavy-ion collisions at intermediate energies, where both the smooth nucleon potential and the hard-core nucleon-nucleon collision are important, the…
Quantum-optical descriptions of strong-field processes have attracted significant attention in recent years. Typically, the theoretical modeling has been conducted in the Schr\"odinger picture, where results are only obtainable under…
We present a novel mixed quantum-classical approach to the coupled electron-nuclear dynamics based on the exact factorization of the electron-nuclear wave function, recently proposed in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys.…
An approach to non-adiabatic dynamics of atoms in molecular and condensed matter systems under general non-equilibrium conditions is proposed. In this method interaction between nuclei and electrons is considered explicitly up to the second…
The Glauber model is extensively applied to heavy ion collision for describing a number of interaction processes over a wide range of energies from near the Coulomb barrier to higher energies. The model gives the nucleus-nucleus interaction…
We study the breakup of $\text{H}_2^+$ exposed to super-intense, femtosecond laser pulses with frequencies greater than that corresponding to the ionization potential. By solving the time-dependent Schr\"odinger equation in an extensive…
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 interaction of a helium atom with intense short 800 nm laser pulse is studied theoretically beyond the single-active-electron approximation. For this purpose, the time-dependent Schr\"odinger equation for the two-electron wave packet…
The Hubbard model on a cube was revisited and extended by both nearest-neighbor (nn) Coulomb correlation and {nearest-neighbor} Heisenberg exchange. The complete eigensystem was computed exactly for all electron occupancies and all model…
A numerically solvable two-dimensional (2D) model, employed by the authors to study the dissociative recombination of H$_2^+$ in the ungerade symmetry [Phys. Rev. A $\mathbf{98}$, 062706 (2018)], is extended to describe the collision…