Related papers: Singlet Geminal Wavefunctions
For a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian shape we evaluate all the electron-phonon couplings derived from the one-body and two-body electronic interactions, considering both the adiabatic and…
A method for constructing semianalytical strongly correlated wave functions for single and molecular quantum dots is presented. It employs a two-step approach of symmetry breaking at the Hartree-Fock level and of subsequent restoration of…
The electronic Schr\"odinger equation describes the motion of N electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wavefunctions, depend on 3N variables, three spatial…
We construct closed-form gravitational waveforms (GWs) with tidal effects for the coalescence and merger of binary neutron stars. The method relies on a new set of eccentricity-reduced and high-resolution numerical relativity (NR)…
Most of the examples of wavelet sets are for dilation sets which are groups. We find a necessary and sufficient condition under which subspace wavelet sets exist for dilation sets of the form $A B$, which are not necessarily groups. We…
Electronic states with fractional spins arise in systems with large static correlation (strongly correlated systems). Such fractional-spin states are shown to be ensembles of degenerate ground states with normal spins. It is proven here…
Generalizing the classical Thomson problem to the quantum regime provides an ideal model to explore the underlying physics regarding electron correlations. In this work, we systematically investigate the combined effects of the geometry of…
We compute correlation functions for one-dimensional electron systems which spin and charge degrees of freedom are coupled through spin-orbit coupling. Charge density waves, spin density waves, singlet- triplet- superconducting fluctuations…
A basis set expansion is performed to find the eigenvalues and wave functions for an electron on a toroidal surface $T^2$ subject to a constant magnetic field in an arbitrary direction. The evolution of several low-lying states as a…
We consider a two-component system of cubic semilinear wave equations in two space dimensions satisfying the Agemi-type structural condition (Ag) but violating (Ag$_0$) and (Ag$_+$). For this system, we show that small amplitude solutions…
Generalization of Gaussian trial wave functions in quantum molecular dynamics models is introduced, which allows for long-range correlations characteristic for composite nuclear fragments. We demonstrate a significant improvement in the…
Previous work has developed the theory of linearized gravitational wave (GW) interactions with matter using the Bondi-Sachs formalism, but with the perturbations restricted to be quadrupolar, i.e., the angular dependence is spherical…
Ab initio electronic structure methods give accurate results for small systems, but do not scale well to large systems. Chemical insight tells us that molecular functional groups will behave approximately the same way in all molecules,…
We evaluate all the electron-phonon couplings derived from the one-body electronic interactions, in both the adiabatic and extreme non-adiabatic limit, for a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian…
Modern nanotechnology allows producing, depending on application, various quantum nanostructures with the desired properties. These properties are strongly influenced by the confinement potential which can be modified, e.g., by electrical…
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…
Closed shell molecular structures are under normal conditions time-reversal invariant. Experimental evidences point, however, towards that this invariance may be locally violated when the structure is in contact with a particle reservoir.…
Hyperfine interaction of electron spins with nuclear spins, in coupled double quantum dots is studied. Results of successive electron spin measurements exhibit bunching due to correlations induced via the nuclear spins. Further nuclear…
Soliton molecules, bound states of two solitons, can be important for the informatics using solitons and the quest for exotic particles in a wide range of physical systems from unconventional superconductors to nuclear matter and Higgs…
We analyze the various approaches to construct exchange-correlation functionals which are able to describe states of definite spin multiplicity in the DFT realm and outline the characteristics of possible functionals consistent with the…