Related papers: Singlet Geminal Wavefunctions
A key question in high temperature iron-based superconductivity is the mechanism by which the paired electrons minimize their strong mutual Coulomb repulsion. While electronically paired superconductors generally avoid the Coulomb…
Electromagnetic wavelets are constructed using scalar wavelets as superpotentials, together with an appropriate polarization. It is shown that oblate spheroidal antennas, which are ideal for their production and reception, can be made by…
Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairing approach is presented, specifically, we extend the…
An approximation for the unknown two-electron wavefunctions (geminals) of the interacting uniform electron gas is found, starting from the effective screened Coulomb potential proposed by Overhauser [Can. J. Phys. 73, 683 (1995)]. The…
An axisymmetric space-localized solution of nonlinear electrodynamics is considered as massive charged particle with spin and magnetic moment. The appropriate solution for nonlinear electrodynamics with ring singularity is investigated. In…
We theoretically study the Hilbert space structure of two neighbouring P donor electrons in silicon-based quantum computer architectures. To use electron spins as qubits, a crucial condition is the isolation of the electron spins from their…
In a previous report (arxiv:0901.2487), we introduced a new fermionic variational wavefunction, suitable for interacting multi-species systems and sustaining superfluidity. This wavefunction contains a new quantum index. Here we introduce a…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
New, approximate, two-electron wavefunctions are introduced for the two-electron atoms (cations), which account remarkably well for the ground-state energies and the lowest-excxited states (where available). A new scheme of electronic…
It has been recently conjectured that the exact eigenfunctions of quantum mirror curves can be obtained by combining their WKB expansion with the open topological string wavefunction. In this paper we give further evidence for this…
Quantum mechanical scalar particle with polarizability is considered in the presence of the Coulomb field. Separation of variables is performed with the use of Wigner $D$-functions, the radial system of 15 equations is reduced to a single…
Solitons in nematic liquid crystals offer intriguing opportunities for transport and sensing in microfluidic systems. Little is known about the elementary conditions that are needed to create solitons in nematic materials. In this work,…
In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
The aim of this study is to develop a semi-analytical method to investigate fluid-structure coupling of concentric double shells with different lengths and elastic behaviours. Co-axial shells constitute a cylindrical circular container and…
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…
We develop a coupled wire construction of chiral spin liquids. The starting point are individual wires of electrons in the Mott regime that are subject to a Zeeman field and Rashba spin-orbit coupling. Suitable spin-flip couplings between…
A review is given of phase properties in molecular wave functions, composed of a number of (and, at least, two) electronic states that become degenerate at some nearby values of the nuclear configuration. Apart from discussing phases and…
We make a quantum description of the electron low temperature properties of double exchange materials. In these systems there is a strong coupling between the core spin and the carriers spin. This large coupling makes the low energy spin…
Gemini (dimeric) surfactants are composed of two monomeric surfactant molecules linked by a spacer chain. Their self-assembly behavior differs qualitatively from that of monomeric surfactants. We review the various theoretical attempts to…