Variational Monte Carlo for Interacting Electrons in Quantum Dots

We use a variational Monte Carlo algorithm to solve the electronic structure of two-dimensional semiconductor quantum dots in external magnetic field. We present accurate many-body wave functions for the system in various magnetic field regimes. We show the importance of symmetry, and demonstrate how it can be used to simplify the variational wave functions. We present in detail the algorithm for efficient wave function optimization. We also present a Monte Carlo -based diagonalization technique to solve the quantum dot problem in the strong magnetic field limit where the system is of a multiconfiguration nature.Comment: 34 pages, proceedings of the 1st International Meeting on Advances in Computational Many-Body Physics, to appear in Journal of Low Temperature Physics (vol. 140, nos. 3/4

Stability of light positronic atoms: Quantum Monte Carlo studies

We present accurate ground-state energies for the positronium atom in a Coulomb field of point charge Z (XZPs), for the positronium hydrogen (HPs) and positronium lithium (LiPs) atoms. Calculations are done using the diffusion quantum Monte Carlo (DQMC) method. For XZPs, the critical value of Z for binding is examined. While HPs is stable, the results show that LiPs is unstable against dissociation to a lithium atom and a positronium.Peer reviewe

Interacting electrons on a quantum ring: exact and variational approach

We study a system of interacting electrons on a one-dimensional quantum ring using exact diagonalization and the variational quantum Monte Carlo method. We examine the accuracy of the Slater-Jastrow -type many-body wave function and compare energies and pair distribution functions obtained from the two approaches. Our results show that this wave function captures most correlation effects. We then study the smooth transition to a regime where the electrons localize in the rotating frame, which for the ultrathin quantum ring system happens at quite high electron density.Comment: 19 pages, 10 figures. Accepted for publication in the New Journal of Physic

Electron correlations, spontaneous magnetization and momentum density in quantum dots

The magnetization of quantum dots is discussed in terms of a relatively simple but exactly solvable model Hamiltonian. The model predicts oscillations in spin polarization as a function of dot radius for a fixed electron density. These oscillations in magnetization are shown to yield distinct signature in the momentum density of the electron gas, suggesting the usefulness of momentum resolved spectroscopies for investigating the magnetization of dot systems. We also present variational quantum Monte Carlo calculations on a square dot containing 12 electrons in order to gain insight into correlation effects on the interactions between like and unlike spins in a quantum dot.Comment: 6 pages, 4 figure

A natural orbital method for the electron momentum distribution in matter

A variational method for many electron system is applied to momentum distribution calculations. The method uses a generating two-electron geminal and the amplitudes of the occupancies of one particle natural orbitals as variational parameters. It introduces correlation effects beyond the free fermion nodal structure.Comment: 3 pages, Latex, revised paper with new reference

Electronic structure of rectangular quantum dots

We study the ground state properties of rectangular quantum dots by using the spin-density-functional theory and quantum Monte Carlo methods. The dot geometry is determined by an infinite hard-wall potential to enable comparison to manufactured, rectangular-shaped quantum dots. We show that the electronic structure is very sensitive to the deformation, and at realistic sizes the non-interacting picture determines the general behavior. However, close to the degenerate points where Hund's rule applies, we find spin-density-wave-like solutions bracketing the partially polarized states. In the quasi-one-dimensional limit we find permanent charge-density waves, and at a sufficiently large deformation or low density, there are strongly localized stable states with a broken spin-symmetry.Comment: 8 pages, 9 figures, submitted to PR

Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

The generalized gradient correction method for positron-electron correlation effects in solids [B. Barbiellini et al., Phys. Rev. B 51, 7341 (1995)] is applied in several test cases. The positron lifetime, energetics, and momentum distribution of the annihilating electron-positron pairs are considered. The comparison with experiments shows systematic improvement in the predictive power of the theory compared to the local-density approximation results for positron states and annihilation characteristics.Peer reviewe

Generalised Lyndon-Schützenberger Equations

We fully characterise the solutions of the generalised Lyndon-Schützenberger word equations $u_1 \cdots u_\ell = v_1 cdots v_m w_1 \cdots w_n$, where $u_i \in \{u, \theta(u)\}$ for all $1 \leq i \leq \ell$, $v_j \in \{v, \theta(v)\}$ for all $1 \leq j \leq m$, $w_k \in \{w, \theta(w)\}$ for all $1 \leq k ?\leq n$, and $\theta$ is an antimorphic involution. More precisely, we show for which $\ell$, $m$, and $n$ such an equation has only $\theta$-periodic solutions, i.e., $u$, $v$, and $w$ are in $\{t, \theta(t)\}^\ast$ for some word $t$, closing an open problem by Czeizler et al. (2011)