Related papers: Transitions in ZnS and CdSe quantum dots and wave-…
Recent experiments suggest that excitonic degrees of freedom play an important role in precipitating the charge density wave (CDW) transition in $1T$-$\mathrm{TiSe}_2$. Through systematic calculations of the electronic and phonon spectrum…
The nonrelativistic energies of the homonuclear ion T$_2^+$ are calculated for the ground state using the Lagrange-mesh method as was done for the isotopomers H$_2^+$ and D$_2^+$ ({\it J. Phys. B: At. Mol. Opt. Phys.} {\bf 45} 065101 and…
Recently published Density Functional Theory results from Whaley-Baldwin et. al. [New J. Phys. 22 023020, Feb 2020] using the PBE functional suggest that elemental sulfur does not adopt the simple-cubic (SC) $Pm\bar{3}m$ phase at high…
We present the most accurate up-to-date theoretical values of the {2p_{1/2}}-{2s} and {2p_{3/2}}-{2s} transition energies and the ground-state hyperfine splitting in ${\rm Sc}^{18+}$. All two- and three-electron contributions to the energy…
We investigated electron transport through ultra small Si quantum dots. We found that the $B$-dependence of energy levels is dominated by the Zeeman shift, allowing us to measure the spin difference between two successive ground states…
The energy spectrum of central divalent impurity is calculated using the effective mass approximation in a spherical quantum dot (QD). The dipole moment and oscillator strength of interlevel transition is defined. The dependence of linear…
In monolayers of transition metal dichalcogenides the nonlocal nature of the effective dielectric screening leads to large binding energies of excitons. Additional lateral confinement gives rise to exciton localization in quantum dots. By…
Coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] has been extensively employed as the reference method in benchmarking different quantum chemistry methods. In this work, we test the accuracy of CCSD(T)…
The superfluid to normal fluid transition of dipolar bosons in two dimensions is studied throughout the whole density range using path integral Monte Carlo simulations and summarized in the phase diagram. While at low densities, we find…
Spectrum and electric dipole transition rates and relative intensities in $^{152-154}$Sm, $^{156-160}$Gd, $^{160-162}$Dy are studied in the framework of the interacting boson model with s,p,d,f bosons. It is found that E1 transition data…
Magnetic dipole strength functions have been deduced from averages of a large number of $M1$ transition strengths calculated within the shell model for the nuclides $^{90}$Zr, $^{94}$Mo, $^{95}$Mo, and $^{96}$Mo. An enhancement of $M1$…
We perform photoluminescence excitation measurements on individual CdSe/ZnS nanocrystal quantum dots (NCQDs) at room temperature to study optical transition energies and broadening. The observed features in the spectra are identified and…
In cuprates, the strong correlations in proximity to the antiferromagnetic Mott insulating state give rise to an array of unconventional phenomena beyond high temperature superconductivity. Developing a complete description of the ground…
We study quantum phase transitions out of the fracton ordered phase of the $\mathbb{Z}_N$ X-cube model. These phase transitions occur when various types of sub-dimensional excitations and their composites are condensed. The condensed phases…
We develop a self-consistent phase-transition theory of charge density waves (CDWs), starting from a purely microscopic model. Specifically, we derive a microscopic CDW gap equation $|\Delta_0(T)|$, taking into account of thermal phase…
We consider single band of conduction electrons interacting with displacements of the transitional ions. In the classical regime strong enough coupling transforms the harmonic elastic energy for an ion to the one of the well with two deep…
Spin properties of two interacting electrons in a quantum dot (QD) embedded in a nanowire with controlled aspect ratio and longitudinal magnetic fields are investigated by using a configuration interaction (CI) method and exact…
We present a modification of the $\Delta$SCF method of calculating energies of excited states, in order to make it applicable to resonance calculations of molecules adsorbed on metal surfaces, where the molecular orbitals are highly…
We consider a quantum dot embedded in a three-dimensional nanowire with tunable aspect ratio a. A configuration interaction theory is developed to calculate the energy spectra of the finite 1D quantum dot systems charged with two electrons…
Using the interaction $Q \cdot Q ~+~ xV_{S.O.}$ where $V_{S.O.}$ is a two-body spin-orbit interaction, we study the effects of varying x on the static electric quadrupole and magnetic dipole moments of the $2^+_1$ and $2^+_2$ states of…