Related papers: Variationally optimized orbital approach to trions…
We present a many-body formalism for the simulation of time-resolved nonlinear spectroscopy and apply it to study the coherent interaction between excitons and trions in doped transition-metal dichalcogenides. Although the formalism can be…
We present a method for finding individual excited states' energy stationary points in complete active space self-consistent field theory that is compatible with standard optimization methods and highly effective at overcoming difficulties…
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…
We study the dynamic equilibrium between trions and excitons in monolayers of transition metal dichalcogenides in the presence of resident charge carriers and continuous photogeneration of excitons. We show that heating of the system via…
Binding energies of negative and positive trions in doped GaAs quantum wells in high magnetic fields are studied by exact numerical diagonalization in spherical geometry. Compared to earlier calculations, finite width of the quantum well…
We present a theoretical and numerical framework to compute bifurcations of equilibria and stability of slender elastic rods. The 3D kinematics of the rod is treated in a geometrically exact way by parameterizing the position of the…
The three-nucleon bound state problem is studied employing a nucleon-nucleon potential obtained from a basic quark-quark interaction in a five-channel Faddeev calculation. The obtained triton binding energy is comparable to those predicted…
The article presents calculated dissociative recombination (DR) rate coefficients for H+3 . The previous theoretical work on H+3 was performed using the adiabatic hyperspherical approximation to calculate the target ion vibrational states…
An energy functional for orbital based $O(N)$ calculations is proposed, which depends on a number of non orthogonal, localized orbitals larger than the number of occupied states in the system, and on a parameter, the electronic chemical…
Three simple $7-, (7+3)-, 10-$parametric trial functions for the ${\rm H}_3^+$ molecular ion are presented. Each of them provides subsequently the most accurate approximation for the Born-Oppenheimer ground state energy among…
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,…
Optical control strategies in semiconductor nanostructures have almost exclusively relied on heavy-hole exciton and trion states. In the first part of this letter, we show that light-hole trions provide the missing ressource for…
Photoluminescence experiments from monolayer transition-metal dichalcogenides often show that the binding energy of trions is conspicuously similar to the energy of optical phonons. This enigmatic coincidence calls into question whether…
Two-dimensional (2D) bilayers, twisted to particular angles to display electronic flat bands, are being extensively explored for physics of strongly correlated 2D systems. However, the similar rich physics of one-dimensional (1D) strongly…
We combine recent advances in excited state variational principles, fast multi-Slater Jastrow methods, and selective configuration interaction to create multi-Slater Jastrow wave function approximations that are optimized for individual…
Doped van der Waals heterostructures host layer-hybridized trions, i.e. charged excitons with layer-delocalized constituents holding promise for highly controllable optoelectronics. Combining a microscopic theory with photoluminescence (PL)…
We investigate the possible existence of the bound state in the system of three bosons interacting with each other via zero-radius potentials in two dimensions (it can be atoms confined in two dimensions or tri-exciton states in…
In van der Waals heterostructures, electronic bands of two-dimensional (2D) materials, their nontrivial topology, and electron-electron interactions can be dramatically changed by a moire pattern induced by twist angles between different…
Trions, quasi-particles consisting of two electrons combined with one hole or of two holes with one electron, have recently been observed in transition metal dichalcogenides (TMDCs) and drawn increasing attention due to potential…
A new variational technique for investigation of the ground state and correlation functions in 1D quantum magnets is proposed. A spin Hamiltonian is reduced to a fermionic representation by the Jordan-Wigner transformation. The ground state…