Related papers: The diabatic valence-hole concept
We study the coupled atom-molecular quantized ring vortices of 87Rb Bose-Einstein Condensates (BEC) trapped in a rotating three dimensional (3D) anisotropic cylindrical trap both in time independent and time-dependent Gross-Pitaevskii…
Tetracene is an important conjugated molecule for device applications. We have used the diagrammatic valence bond method to obtain the desired states, in a Hilbert space of about 450 million singlets and 902 million triplets. We have also…
Dielectric four-port devices play an important role in optical quantum information processing. Since for causality reasons the permittivity is a complex function of frequency, dielectrics are typical examples of noisy quantum channels,…
To elucidate the high external quantum efficiency observed for organic light-emitting diodes using a bisanthracene derivative, BD1, as the emitting molecule, off-diagonal vibronic coupling constants (VCCs) between the excited states of BD1,…
The mean-field steady states of a generalized model of $N$ two-state systems interacting with one mode of the radiation field in the presence of external driving and dissipation are surveyed as a function of three control parameters: one…
We present a detailed theoretical study of the electronic spectrum and Zeeman splitting in hole quantum wires. The spin-3/2 character of the topmost bulk-valence-band states results in a strong variation of subband-edge g factors between…
We study the Coulomb-to-dipole transition which occurs when the separation $d$ of an electron-hole bilayer system is varied with respect to the characteristic in-layer distances. An analysis of the classical ground state configurations for…
We show that the low-energy fluctuations of the valence bond in underdoped high-T_c cuprates, originating from quantum fluctuations of the superexchange interaction, are pinned by the electronic disorder due to off-stoichiometric dopants,…
Conical intersections are ubiquitous in polyatomic molecules and responsible for a wide range of phenomena in chemistry and physics. We introduce and implement a local diabatic representation for the correlated electron-nuclear dynamics…
The holonomic approach to controlling (nitrogen-vacancy) NV-center qubits provides an elegant way of theoretically devising universal quantum gates that operate on qubits via calculable microwave pulses. There is, however, a lack of…
Deformed states in $^{40}$Ca are investigated with a method of antisymmetrized molecular dynamics. Above the spherical ground state, rotational bands arise from a normal deformation and a superdeformation as well as an oblate deformation.…
Silicon quantum computing has the potential to revolutionize technology with capabilities to solve real-life problems that are computationally complex or even intractable for modern computers [1] by offering sufficient high quality qubits…
Systems of up to twelve electrons and six holes on the Haldane sphere are studied by exact numerical diagonalization. The low lying states of the system involve bound excitonic complexes such as (X^n)-. The angular momenta of these…
We study effects of nonadiabatic couplings in a model of a diatomic molecule in the context of attosecond transient absorption spectroscopy. By using a model system consisting of four diabatic electronic states and with a variable strength…
We show that the recently discovered $\nu=1/2$ quantum Hall states in bilayer systems are triplet p-wave pairing states of composite Fermions, of exactly the same form as $^{3}$He superfluids. The observed persistence (though weakening) of…
An outstanding problem in the theory of nuclear fission is to understand the Hamiltonian dynamics at the scission point. In this work the fissioning nucleus is modeled in self-consistent mean-field theory as a set of Generator Coordinate…
To understand the essence of the exciton Mott transition in three-dimensional electron-hole systems, the metal-insulator transition is studied for a two-band Hubbard model in infinite dimensions with interactions of electron-electron…
The paradigmatic example of deconfined quantum criticality is the Neel-VBS phase transition. The continuum description of this transition is the $N=2$ case of the $CP^{N-1}$ model, which is a field theory of $N$ complex scalars in 3d…
Accurate {\it ab initio} calculations have been carried out to study the valence electron removal energies and oscillator strengths of astrophysically important electromagnetic transitions of quadruply ionized vanadium, $V^{4+}$. Many…
Traditional close-coupling methods suppose an expansion of the total wave function in terms of inner stationary states of colliding subsystems. In the case of hadronic atoms, a similar expansion has to involve, \emph{inter alia}, low…