Atomic and molecular intracules for excited states

Intracules in position space, momentum space and phase space have been calculated for low-lying excited states of the He atom, Be atom, formaldehyde and butadiene. The phase-space intracules (Wigner intracules) provide significantly more information than the position- and momentum-space intracules, particularly for the Be atom. Exchange effects are investigated through the differences between corresponding singlet and triplet states.This work was supported by the Engineering and Physical Sciences Research Council through the award of an Advanced Research Fellowship (GR/R77636) to NAB and a Joint Research Equipment Initiative grant (GR/R62052)

The uniform electron gas

The uniform electron gas or UEG (also known as jellium) is one of the most fundamental models in condensed-matter physics and the cornerstone of the most popular approximation --- the local-density approximation --- within density-functional theory. In this article, we provide a detailed review on the energetics of the UEG at high, intermediate and low densities, and in one, two and three dimensions. We also report the best quantum Monte Carlo and symmetry-broken Hartree-Fock calculations available in the literature for the UEG and discuss the phase diagrams of jellium.Comment: 37 pages, 8 figures, 8 tables, accepted for publication in WIRES Computational Molecular Scienc

Exact energy of the spin-polarized two-dimensional electron gas at high density

We derive the exact expansion, to $O(r_s)$, of the energy of the high-density spin-polarized two-dimensional uniform electron gas, where $r_s$ is the Seitz radius.Comment: 7 pages, 1 figure and 1 table, submitted to Phys. Rev.

Leading-order behavior of the correlation energy in the uniform electron gas

We show that, in the high-density limit, restricted M{\o}ller-Plesset (RMP) perturbation theory yields $E_{\text{RMP}}^{(2)} = \pi^{-2}(1-\ln 2) \ln r_s + O(r_s^0)$ for the correlation energy per electron in the uniform electron gas, where $r_s$ is the Seitz radius. This contradicts an earlier derivation which yielded $E_{\text{RMP}}^{(2)} = O(\ln|\ln r_s|)$. The reason for the discrepancy is explained.Comment: 4 pages, accepted for publication in Int. J. Quantum Che

Correlation energy of two electrons in a ball

We study the ground-state correlation energy $E_{\rm c}$ of two electrons of opposite spin confined within a $D$-dimensional ball ($D \ge 2$) of radius $R$. In the high-density regime, we report accurate results for the exact and restricted Hartree-Fock energy, using a Hylleraas-type expansion for the former and a simple polynomial basis set for the latter. By investigating the exact limiting correlation energy E_{\rm c}^{(0)} = \lim_{R \to 0} \Ec for various values of $D$, we test our recent conjecture [J. Chem. Phys. {\bf 131} (2009) 241101] that, in the large-$D$ limit, $E_{\rm c}^{(0)} \sim -\delta^2/8$ for any spherically-symmetric confining external potential, where $\delta=1/(D-1)$.Comment: 6 pages, 2 figure

THE DETERMINANTS OF THE GOING PUBLIC DECISION: EVIDENCE FROM THE U.K.

Several theoretical papers have addressed the question of why firms raise public equity. However, direct empirical evidence on the characteristics of firms going public is scarce and limited to non-Anglo-Saxon contexts. Our research combines the analysis of ex ante and ex post characteristics of Initial Public Offering (IPO) companies to cast more light on the determinants of the going public decision in the UK. Some of our findings are consistent with prior empirical studies in other contexts: IPO probability depends positively on firm size and stock price levels. Results also suggest that a firm?s need to finance investments is not the main motive to go public, although this reason underlies the going public decision in a number of UK firms. Besides, contrary to the evidence shown by Pagano et al. (1998) for Italian IPOs, we find that UK firms do not go public to reduce debt since leverage is negatively related to the probability of going public. Finally, the relationship between profitability and the likelihood of an IPO for our whole IPO sample is negative and significant. Whether firms that go public have higher investment rates than other firms, as is the case of our survivor IPOs, the negative effect of profitability on the probability of going public may reflect the fact that these firms cannot yield sufficient internal funds to finance large investments. In fact, the relationship between profitability and the likelihood of an IPO becomes significantly positive for our acquired IPO group, where investment opportunities variables have no significant effect on the going public decision. This result is consistent with the portfolio rebalancing motive to go public.Initial Public Offerings, the Going Public Decision.