Related papers: Molecular geometric phase from the exact electron-…
The total energy is a fundamental characteristic of solids, molecules, and nanostructures. In most first-principles calculations of the total energy, the nuclear kinetic operator is decoupled from the many-body electronic Hamiltonian and…
We obtain the geometric phase for states of a particle in a spherical infinite potential well with a moving wall in two different cases; First, when the radius of the well increases (or decreases) monotonically. Second, when the radius…
We introduce the concept of Berry's phase in Josephson junctions and consider how this geometric phase arises due to applied oscillating electric fields. The electromagnetic field excites topological quasi-particles from the junction vacuum…
The geometry of the parameter space is encoded by the quantum geometric tensor, which captures fundamental information about quantum states and contains both the quantum metric tensor and the curvature of the Berry connection. We present a…
In order to model experimental non-resonant Raman optical activity, chemists must compute a host of second-order response tensors, (e.g. the electric-dipole magnetic-dipole polarizability) and their nuclear derivatives along a set of…
A fundamental problem regarding the Dirac quantization of a free particle on an $N-1$ curved hypersurface embedded in $N$($\geq 2$) flat space is the impossibility to give the same form of the curvature-induced quantum potential, the…
We study the Magneto-Electric (ME) effect from the viewpoint of the Berry phase connection and quantum adiabatic charge transport (QAPT). The linear response theory for the electronic polarization $\vec{P}_{\rm{el}}$ can be interpreted in…
Transport through molecular contacts with a sluggish intramolecular vibrational mode strongly coupled to excess charges is studied far from equilibrium. A Born-Oppenheimer approximation in steady state reveals voltage dependent energy…
Berry curvature is a fundamental element to characterize topological quantum physics, while a full measurement of Berry curvature in momentum space was not reported for topological states. Here we achieve two-dimensional Berry curvature…
In this study, we obtain the approximate analytical solutions of the radial Schr\"{o}dinger equation for the Deng-Fan diatomic molecular potential by using exact quantization rule approach. The wave functions have been expressed by…
We present an exact single-electron picture that describes the correlated electron dynamics in strong laser fields. Our approach is based on the factorization of the electronic wavefunction as a product of a marginal and a conditional…
An exact expression for the phase of an atomic interferometer located in a non-inertial reference frame (platform) moving along an arbitrary trajectory and with an orientation that changes arbitrarily over time is obtained. This expression…
The so-called Born-Huang ansatz is a fundamental tool in the context of ab-initio molecular dynamics, viz., it allows to effectively separate fast and slow degrees of freedom and thus treating electrons and nuclei at different mathematical…
We prove both analytically and numerically that the total angular momentum of a molecular system undergoing adiabatic Born-Oppenheimer dynamics is conserved only when pseudo-magnetic Berry forces are taken into account. This finding sheds…
It is well-known that Dirac particles gain geometric phase, namely Berry phase, while moving in an electromagnetic field. Researchers have already shown covariant formalism for the Berry connection due to an electromagnetic field. A similar…
Accurate low and high-lying bound states of Tietz-Hua oscillator potential are presented. The radial Schr\"odinger equation is solved efficiently by means of the generalized pseudospectral method that enables optimal spatial discretization.…
In this paper, we consider the time-dependent Born-Oppenheimer approximation (BOA) of a classical quantum molecule involving a possibly large number of nuclei and electrons, described by a Schr\"odinger equation. In the spirit of Born and…
Topological phases emerge as the parameters of a quantum system vary with time. Under the adiabatic approximation, the time dependence can be eliminated, allowing the Berry topological phase to be obtained from a closed trajectory in…
We discuss a formal and physical connection between the Bohm quantum potential and the scalar mode of the Aharonov-Bohm extension of electrodynamics. The analysis is motivated by the effective non-relativistic bosonic model recently…
The level crossing problem and associated geometric terms are neatly formulated by the second quantized formulation. This formulation exhibits a hidden local gauge symmetry related to the arbitrariness of the phase choice of the complete…