Related papers: Variationally optimized orbital approach to trions…
The group-theoretical classification of trion states is presented. It is based on considerations of products of irreducible representations of the 2D translation group. For a given BvK period N degeneracy of obtained states is N^2. Trions…
We report the first observation of an optical transition from a ground trion state T to excited trion state T* in (6,5) single-wall carbon nanotubes non-covalently doped with hydrochloric acid. The position of such an excited trion level T*…
Photoluminescence spectra, shows that monolayer Transition-metal dichalcogenides (MLTMDCs), possess charged exciton binding energies, conspicuously similar to the energy of optical phonons. This enigmatic coincidence has offered…
We make a multipole expansion of the atomic/molecular electrostatic charge distribution as seen by the valence electron up to the quadrupole term. The Tridiagonal Representation Approach (TRA) is used to obtain an exact bound state solution…
The optical spectra of two dimensional (2D) materials exhibit sharp absorption peaks that are commonly identified with exciton and trions (or charged excitons). In this paper, we show that excitons and trions in doped 2D materials can be…
A detailed analysis on the effect of spherical impenetrable confinement on the structural properties of two-electron ions in S-states have been done. The energy values of 1sns [n = 2-4] (3Se) states of helium-like ions (Z = 2-5) are…
Theoretical studies of photochemical processes require a description of the energy surfaces of excited electronic states, especially near degeneracies, where transitions between states are most likely. Systems relevant to photochemical…
The nature of trions and their interaction with light has remained a puzzle. The composition and dispersion of polaritons involving trions provide insights into this puzzle. Trions and excitons in doped two-dimensional (2D) materials are…
Five physics mechanisms of interaction leading to the binding of the ${\rm H}_3^+$ molecular ion are identified. They are realized in a form of variational trial functions and their respective total energies are calculated. Each of them…
We develop a variational formalism in order to study the structure of low energy spectra of frustrated quantum spin systems. It is first applied to trial wavefunctions of ladders with one spin-1/2 on each site. We determine energy minima of…
Full-dimensional (12D) vibrational states of the methanol molecule (CH$_3$OH) have been computed using the GENIUSH-Smolyak approach and the potential energy surface from Qu and Bowman (2013). All vibrational energies are converged better…
The ground state energy of the 2-D Wigner crystal is determined as a function of the thickness of the electron layer and the crystal structure. The method of evaluating the exchange-correlation energy is tested using known results for the…
We demonstrate that, rather than resorting to high-cost dynamic correlation methods, qualitative failures in excited-state potential energy surface predictions can often be remedied at no additional cost by ensuring that optimal molecular…
Given growing interest in optical-frequency magnetic dipole transitions, we use intermediate coupling calculations to identify strong magnetic dipole emission lines that are well suited for experimental study. The energy levels for all…
We present two methods for characterization of motional-mode configurations that are generally applicable to the weak and strong-binding limit of single or multiple trapped atomic ions. Our methods are essential to realize control of the…
The binding energies of di- hadronic states have been calculated assuming a 'molecular' interaction provided by the asymptotic expression of the residual confined gluon exchange potential between the component hadrons in the system. Meson-…
We describe a variational method to solve the Holstein model for an electron coupled to dynamical, quantum phonons on an infinite lattice. The variational space can be systematically expanded to achieve high accuracy with modest…
Monolayer transition metal dichalcogenides (TMDs) have the potential to unlock novel photonic and chemical technologies if their optoelectronic properties can be understood and controlled. Yet, recent work has offered contradictory…
The anisotropic nature of the new two-dimensional (2D) material phosphorene, in contrast to other 2D materials such as graphene and transition metal dichalcogenide (TMD) semiconductors, allows excitons to be confined in a…
The electronic and optical properties of monolayer transition-metal dichalcogenides (TMDs) and van der Waals heterostructures are strongly subject to their dielectric environment. In each layer the field lines of the Coulomb interaction are…