Search results for "Quantum Mechanics"
showing 10 items of 2468 documents
Large-photon-number limit and the essential singularity in finite quantum electrodynamics
1976
It is shown that the essential singularity in finite quantum electrodynamics can be located by considering only those diagrams with a large number of photons exchanged in the single-fermion loop, without photons emitted and absorbed on a fermion line. (AIP)
An application of the arithmetic euler function to the construction of nonclassical states of a quantum harmonic oscillator
2001
Abstract All quantum superpositions of two equal intensity coherent states exhibiting infinitely many zeros in their Fock distributions are explicitly constructed and studied. Our approach is based on results from number theory and, in particular, on the properties of arithmetic Euler function. The nonclassical nature of these states is briefly pointed out. Some interesting properties are brought to light.
Stochastic response determination of nonlinear oscillators with fractional derivatives elements via the Wiener path integral
2014
A novel approximate analytical technique for determining the non-stationary response probability density function (PDF) of randomly excited linear and nonlinear oscillators endowed with fractional derivatives elements is developed. Specifically, the concept of the Wiener path integral in conjunction with a variational formulation is utilized to derive an approximate closed form solution for the system response non-stationary PDF. Notably, the determination of the non-stationary response PDF is accomplished without the need to advance the solution in short time steps as it is required by the existing alternative numerical path integral solution schemes which rely on a discrete version of the…
Evanescent wave approximation for non-Hermitian Hamiltonians
2020
The counterpart of the rotating wave approximation for non-Hermitian Hamiltonians is considered, which allows for the derivation of a suitable effective Hamiltonian for systems with some states undergoing decay. In the limit of very high decay rates, on the basis of this effective description we can predict the occurrence of a quantum Zeno dynamics, which is interpreted as the removal of some coupling terms and the vanishing of an operatorial pseudo-Lamb shift.
The influence of Coulomb interaction screening on the excitons in disordered two-dimensional insulators.
2021
AbstractWe study the joint effect of disorder and Coulomb interaction screening on the exciton spectra in two-dimensional (2D) structures. These can be van der Waals structures or heterostructures of organic (polymeric) semiconductors as well as inorganic substances like transition metal dichalcogenides. We consider 2D screened hydrogenic problem with Rytova–Keldysh interaction by means of so-called fractional Scrödinger equation. Our main finding is that above synergy between screening and disorder either destroys the exciton (strong screening) or promote the creation of a bound state, leading to its collapse in the extreme case. Our second finding is energy levels crossing, i.e. the degen…
Topology driven g-factor tuning in type-II quantum dots
2017
We investigate how the voltage control of the exciton lateral dipole moment induces a transition from singly to doubly connected topology in type-II InAs/GaAsxSb1−x quantum dots. The latter causes visible Aharonov-Bohm oscillations and a change of the exciton g factor, which are modulated by the applied bias. The results are explained in the frame of realistic →k⋅→p and effective Hamiltonian models and could open a venue for new spin quantum memories beyond the InAs/GaAs realm.
A worrisome failure of the CC2 coupled-cluster method when applied to ozone
2010
Abstract The approximate coupled-cluster singles and doubles model CC2 is widely used for calculations of excited states in large molecules. We demonstrate a surprising failure of the CC2 geometry optimization of ozone, whereby the CC2 method predicts a barrierless, exothermic, and symmetric dissociation to three oxygen atoms. This is particularly astonishing since both second-order Moller–Plesset perturbation theory and coupled-cluster singles and doubles give reasonable equilibrium structures. We find that [ [ H , T 1 ] , T 1 ] leads to an unbalanced treatment of T 1 and T 2 in the CC2 equations. Results presented here suggest that considerable caution should be exercised when applying th…
Quantum mechanics-molecular dynamics approach to the interpretation of x-ray absorption spectra.
2009
The quantum mechanics-molecular dynamics approach to the simulation of configuration-averaged EXAFS spectra is proposed, and its application is discussed for the example of the Ti K-edge EXAFS spectrum in cubic perovskite SrTiO(3). Proper use of ab initio quantum mechanics allows a number of empirical parameters, used in the molecular dynamics simulation, to be reduced, whereas the molecular dynamics allows us to account for temperature effects. All together, the approach provides a way of accounting for static and dynamic disorder in EXAFS signals from the coordination shells above the first one, where many-atom (multiple-scattering) effects are often important.
Extension of the MIRS computer package for the modeling of molecular spectra : from effective to full ab initio ro-vibrational hamiltonians in irredu…
2012
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or simultaneous treatments of complex band systems of polyatomic molecules. It was set up in the frame of effective polyad models by using algorithms based on advanced group theory algebra to take full account of symmetry properties. It has been successfully used for predictions and data fitting (positions and intensities) of numerous spectra of symmetric and spherical top molecules within the vibration extrapolation scheme. The new version offers more advanced possib…
Extrapolation of water and formaldehyde harmonic and anharmonic frequencies to the B3LYP/CBS limit using polarization consistent basis sets
2010
The harmonic and anharmonic frequencies of fundamental vibrations in formaldehyde and water were successfully estimated using the B3LYP Kohn-Sham limit. The results obtained with polarization- and correlation-consistent basis sets were fitted with a two-parameter formula. Anharmonic corrections were obtained by a second order perturbation treatment (PT2). We compared the performance of the PT2 scheme on the two title molecules using SCF, MP2 and DFT (BLYP, B3LYP, PBE and B3PW91 functionals) methods combined with polarization consistent pc-n (n = 0, 1, 2, 3, 4) basis sets, Dunning’s basis sets (aug)-cc-pVXZ where X = D, T, Q, 5, 6 and Pople’s basis sets up to 6-311++G(3df,2pd). The influence…