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Novel perspectives of controlling molecular systems have recently arisen from the possibility of generating attosecond pulses in the ultraviolet regime and tailoring electron dynamics in its natural time scale. The cornerstone mechanism is…
This work proposes the use of orbital angular momentum (OAM) waves to improve the performance of a computational imaging (CI) system. Specifically, in contrast to a solely frequency-diverse operation, leveraging multiple OAM waves leads to…
An alternative method to the density matrix formalism for the derivation of general expressions of the interaction of polarized atoms with polarized photons and electrons is presented. The expression for the cross-section describing the…
A proposal is put forward for an estimate of the duration of a transition between atomic states. The proposal rests on the consideration that a resonance of the atomic electron with modes of the zero-point radiation field of Compton's…
Due to the technical difficulty of building large quantum computers, it is important to be able to estimate how faithful a given implementation is to an ideal quantum computer. The common approach of completely characterizing the…
The Atom portal, udel.edu/atom, provides the scientific community with easily accessible high-quality data about properties of atoms and ions, such as energies, transition matrix elements, transition rates, radiative lifetimes, branching…
Variational calculations of the deuteron and the triton illustrate that simple wave function ans\"atze become more effective after evolving the nucleon-nucleon potential to lower momentum (``$V_{low k}$''). This is consistent with many-body…
In this paper we focus our attention on a particle that follows a unidirectional quantum walk, an alternative version of the nowadays widespread discrete-time quantum walk on a line. Here the walker at each time step can either remain in…
We investigated some variational methods to compute a wavefunction based on antisymmetric product of geminals (APG). The Waring decomposition on the APG wavefunction leads a finite sum of antisymmetrized geminal power (AGP) wavefunctions,…
The superpositional wave function oscillations for finite-time implementation of quantum algorithms modifies the desired interference required for quantum computing. We propose a scheme with trapped ultracold ion-pairs being qubits to…
Charge-transfer excited states are highly relevant for applications in molecular electronics. However, the accurate calculation of these states in large systems is challenging since wave function methods are prohibitively expensive,…
Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…
The Zeeman-split spin states of a single quantum dot can be used together with its optical trion transitions to form a spin-photon interface between a stationary (the spin) and a flying (the photon) quantum bit. Besides long coherence times…
The oxidation and corrosion of metals are fundamental problems in materials science and technology that have been studied using a large variety of experimental and computational techniques. Here we review some of the recent studies that…
This paper is devoted to the investigation of electron sound -- oscillations of the electron distribution function coupled with elastic deformation and propagating with the Fermi velocity. The amplitude-phase relations characterizing the…
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…
In a radiative Auger process, optical decay is accompanied by simultaneous excitation of other carriers. The radiative Auger process gives rise to weak red-shifted satellite peaks in the optical emission spectrum. These satellite peaks have…
We formulate a Hartree-Fock-LAPW method for electronic band structure calculations. The method is based on the Hartree-Fock-Roothaan approach for solids with extended electron states and closed core shells where the basis functions of…
We present a scheme in which an ion trap quantum computer can be used to make arbitrarily accurate measurements of the quadrature phase variables for the collective vibrational motion of the ion. The electronic states of the ion become the…
Recently it has been shown that time-optimal quantum computation is attained by using the Cartan decomposition of a unitary matrix. We extend this approach by noting that the unitary group is compact. This allows us to reduce the execution…