相关论文: A Physically Based Analytical Model to Predict Qua…
The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When neglected, as in standard GW codes for semiconductors and…
The recent advent of advanced microfabrication capabilities of microfluidic devices has driven attention towards the behavior of particles in inertial flows within microchannels for applications related to the separation and concentration…
Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity qubits and short coherence times. To overcome these…
We derive expressions for the expectation values of the local energy and the local power transferred by an external electrical field to a many-particle system of interacting spinless electrons. In analogy with the definition of the (local)…
We investigate the Predictable Quantum Efficient Detector (PQED) in the visible and near-infrared wavelength range. The PQED consists of two n-type induced junction photodiodes with $Al_2O_3$ entrance window. Measurements are performed at…
The harmonic approximation of ionic fluctuations and the linear coupling between phonons and electrons provide the standard framework to compute, from first principles, the contribution of nuclear dynamics and its interaction with electrons…
Special relativity combined with the stochastic vacuum flux impact model lead to an explicit interpretation of many of the phenomena of elementary quantum mechanics. We examine characteristics of a repetitively impacted submicroscopic…
A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an…
The quasiparticle self-consistent QS$GW$ approach incorporates the corrections of the quasiparticle energies from their Kohn-Sham density functional theory (DFT) eigenvalues by means of an energy independent and Hermitian self-energy matrix…
Thermodynamic properties of confined systems depend on sizes of the confinement domain due to quantum nature of particles. Here we show that shape also enters as a control parameter on thermodynamic state functions. By considering specially…
As exposure to electromagnetic waves becomes increasingly widespread, it is important to quantify how incident fields couple into biological tissue and where absorbed energy is deposited. This work presents an analytical, physics based…
We present a new technique aimed at preventing plane-wave based total energy and stress calculations from the effect of abrupt changes in basis set size. This s cheme relies on the interpolation of energy as a function of the number of…
A volume-averaged global model is developed to investigate surface-wave discharges inside either cylindrical or coaxial structures. The neutral and ion wall flux is self-consistently estimated based on a simplified analytical description…
On the basis of our previous studies on energy levels and wave functions of single electrons in a strong magnetic field, the energy levels and wave functions of non-interacting electron gas system, electron gas Hall surface density and Hall…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid…
Aspects of quantum mechanics on a ring are studied. Either one or two impenetrable barriers are inserted at nodal and non-nodal points to turn the ring into either one or two infinite square wells. In the process, the wave function of a…
We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving selfconsistently a set of single-particle equations. The method can be viewed as a non-trivial extension of the Kohn-Sham…
Modern nanotechnology allows producing, depending on application, various quantum nanostructures with the desired properties. These properties are strongly influenced by the confinement potential which can be modified, e.g., by electrical…