Related papers: Singlet Geminal Wavefunctions
The UHF wave function may be written as a spin-contaminated \textit{pair} wave function of the APSG form, and the overlap of the alpha and beta corresponding orbitals of the UHF solution can be taken as a proxy for the strength of the…
Time-dependent density functionals in principle depend on the initial state of the system, but this is ignored in functional approximations presently in use. For one electron it is shown there is no initial-state dependence: for any…
Further results for conformal partial waves for four point functions for conformal primary scalar fields in conformally invariant theories are obtained. They are defined as eigenfunctions of the differential Casimir operators for the…
We derive an accurate molecular orbital based expression for the coherent time evolution of a two-electron wave function in a quantum dot molecule where the electrons interact with each other, with external time dependent electromagnetic…
Solitary wave and soliton solutions of nonlinear equations are well known for physicists. A soliton is a solitary wave with some outstanding features which make it reasonable to be studied seriously in nonlinear systems. In fact most of the…
Very accurate wave functions are calculated for small transition metal oxide molecules. These wave functions are decomposed using reduced density matrices to study the underlying correlation of electrons. The correlation is primarily of…
The shell structures for weakly interacting fermions in harmonic oscillator traps at zero temperature undergo several transitions depending on the number of particles in the trap and their interaction strength. Calculations of the one and…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
Symmetries of multi-anyon wavefunctions are analysed with the help of a second quantized formulation. Analogues of Slater determinants are constructed. It is shown that the Pauli principle is not enforced.
Electromagnetic waves, in vacuum or dielectrics, can be confined in unbounded cylinders in such a way that they turn around the main axis. For particular choices of the cylinder's section, interesting stationary configurations may be…
We consider two interacting electrons in a semiconductor quantum dot structure which consists of a small dot within a larger dot, and demonstrate a singlet-triplet filtering mechanism which involves spin-dependent resonances and can…
Solitary waves (SWs) are generated in monoatomic (homogeneous) lightly contacting spherical granules by an applied input force of any time-variation and intensity. We consider finite duration shock loads and focus on the transition regime…
We treat a system (a molecule or a solid) in which electrons are coupled linearly to any number and type of harmonic oscillators and which is further subject to external forces of arbitrary symmetry. With the treatment restricted to the…
We develop a Green's function approach to quasiparticle excitations of open-shell systems within the GW approximation. It is shown that accurate calculations of the characteristic multiplet structure require a precise knowledge of the self…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
During the last decade, ab initio methods to calculate electronic structure of materials based on hybrid functionals are increasingly becoming widely popular. In this Letter, we show that, in the case of small gap transition metal oxides,…
The possibility of superconducting pairing of electrons in doped graphene due to in-plane and out-of-plane phonons is studied. Quadratic coupling of electrons with out-of-plane phonons is considered in details, taking into account both…
Single wavelet sets, and thus single wavelets, are shown to exist for the actions of all crystallographic groups on $\mathbb R^2$ under all integer dilations. Examples of such sets satisfying the additional requirement that they are finite…
We find that for the pure Coulomb repulsion the composite Fermi sea at $\nu=1/2$ is on the verge of an instability to triplet pairing of composite fermions. It is argued that a transition into the paired state, described by a Pfaffian wave…
A variational approach is developed for bound state calculations in three- and four-electron atomic systems. This approach can be applied to determine, in principle, an arbitrary bound state in three- and four-electron ions and atoms. Our…