Related papers: Molecular geometric phase from the exact electron-…
The calculation of quantum-geometric properties of Bloch electrons -- Berry curvature, quantum metric, orbital magnetic moment and effective mass -- was implemented in a pseudopotential plane-wave code. The starting point was the first…
The response of electrons under linearly polarized light in Dirac materials as borophene or graphene is analyzed in a continuous wave regime for an arbitrary intense field. Using a rotation and a time-dependent phase transformation, the…
The geometric phase has been proposed as a candidate for noise resilient coherent manipulation of fragile quantum systems. Since it is determined only by the path of the quantum state, the presence of noise fluctuations affects the…
We consider area-preserving deformations of the plane, acting on electronic wavefunctions through "quantomorphisms" that change both the underlying metric and the confining potential. We show that adiabatic sequences of such transformations…
The Exact Factorization framework is extended and utilized to introduce the electronic-states of correlated electron-photon systems. The formal definitions of an exact scalar potential and an exact vector potential that account for the…
The Exact Factorization (EF) theory aims at the separation of the nuclear and electronic degrees of freedom in the many-body (MB) quantum mechanical problem. Being formally equivalent to the solution of the MB Schr\"{o}dinger equation, EF…
The physics of a quantum dot with electron-electron interactions is well captured by the so called "Universal Hamiltonian" if the dimensionless conductance of the dot is much higher than unity. Within this scheme interactions are…
A system of two bilinearly coupled harmonic oscillators has been solved analytically by using the Born-Oppenheimer (BO) product wavefunction ansatz and the phase-space bound trajectory approach [J. S. Molano et al., Chem. Phys. Lett.…
One milestone in quantum physics is Berry's seminal work [Proc.~R.~Soc.~Lond.~A \textbf{392}, 45 (1984)], in which a quantal phase factor known as geometric phase was discovered to solely depend on the evolution path in state space. Here,…
When quasiparticles move in condensed matters, the texture of their internal quantum structure as a function of position and momentum can give rise to Berry phases that have profound effects on materials properties. Seminal examples include…
Physical problems for which the existence of non-trivial topological Pauli phase (i.e. fractional quantization of angular orbital angular momenta that is possible in 2D case) is essential are discussed within the framework of…
Berry's phase often appears in quantum two-level systems with a degeneracy. An example of such a system is a spin-1/2 particle in a magnetic field. As the magnetic field is slowly evolved through a closed path, the particle has been shown…
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…
We develop a mathematical formalism underlying the emergence of enantio-sensitive molecular orientation due to photoionization or photoexitation of chiral molecules. We consider geometric quantities such as the Berry connection and Berry…
We analyze the entanglement between electronic and nuclear motions in molecular wave functions, by using different widely used ansatzes in molecular Hamiltonian models (H$^+_2$ in 1D and the Shin-Metiu model); namely, i) Born-Oppenheimer…
By analyzing the vectorial Helmholtz equation within the thin-layer approach, we find that light acquires a novel geometrical phase, in addition to the usual one (the optical Berry phase), during the propagation along a curved path. Unlike…
The topological structure of the wavefunctions of particles in periodic potentials is characterized by the Berry curvature $\Omega_{kn}$ whose integral on the Brillouin zone is a topological invariant known as the Chern number. The…
The exact factorization of an electron-nuclear wavefunction [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)] allows us to define the rigorous nuclear time-dependent Schr\"{o}dinger equation (TDSE) with a…
The assumptions underpinning the adiabatic Born-Oppenheimer (BO) approximation are broken for molecules interacting with attosecond laser pulses, which generate complicated coupled electronic-nuclear wavepackets that generally will have…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…