Energy and structure of dilute hard- and soft-sphere gases

The energy and structure of dilute hard- and soft-sphere Bose gases are systematically studied in the framework of several many-body approaches, as the variational correlated theory, the Bogoliubov model and the uniform limit approximation, valid in the weak interaction regime. When possible, the results are compared with the exact diffusion Monte Carlo ones. A Jastrow type correlation provides a good description of the systems, both hard- and soft-spheres, if the hypernetted chain energy functional is freely minimized and the resulting Euler equation is solved. The study of the soft-spheres potentials confirms the appearance of a dependence of the energy on the shape of the potential at gas paremeter values of $x \sim 0.001$. For quantities other than the energy, such as the radial distribution functions and the momentum distributions, the dependence appears at any value of $x$. The occurrence of a maximum in the radial distribution function, in the momentum distribution and in the excitation spectrum is a natural effect of the correlations when $x$ increases. The asymptotic behaviors of the functions characterizing the structure of the systems are also investigated. The uniform limit approach results very easy to implement and provides a good description of the soft-sphere gas. Its reliability improves when the interaction weakens.Comment: Accepted in Phys. Rev.

Ground state properties and excitation spectrum of a two dimensional gas of bosonic dipoles

We present a quantum Monte Carlo study of two-dimensional dipolar Bose gases in the limit of zero temperature. The analysis is mainly focused on the anisotropy effects induced in the homogeneous gas when the polarization angle with respect to the plane is changed. We restrict our study to the regime where the dipolar interaction is strictly repulsive, although the strength of the pair repulsion depends on the vector interparticle distance. Our results show that the effect of the anisotropy in the energy per particle scales with the gas parameter at low densities as expected, and that this scaling is preserved for all polarization angles even at the largest densities considered here. We also evaluate the excitation spectrum of the dipolar Bose gas in the context of the Feynman approximation and compare the results obtained with the Bogoliubov ones. As expected, we find that these two approximations agree at very low densities, while they start to deviate from each other as the density increases. For the largest densities studied, we observe a significant influence of the anisotropy of the dipole-dipole interaction in the excitation spectrum.Comment: 6 pages, 6 figure

Energy and Structure of Hard-Sphere Bose Gases in three and two dimensions

The energy and structure of dilute gases of hard spheres in three dimensions is discussed, together with some aspects of the corresponding 2D systems. A variational approach in the framework of the Hypernetted Chain Equations (HNC) is used starting from a Jastrow wavefunction that is optimized to produce the best two--body correlation factor with the appropriate long range. Relevant quantities describing static properties of the system are studied as a function of the gas parameter $x=\rho a^d$ where $\rho$, $a$ and $d$ are the density, $s$--wave scattering length of the potential and dimensionality of the space, respectively. The occurrence of a maximum in the radial distribution function and in the momentum distribution is a natural effect of the correlations when $x$ increases. Some aspects of the asymptotic behavior of the functions characterizing the structure of the systems are also investigated.Comment: Proceedings of the QFS2004 conference in Trento. To appear in JLT

Coherent and Incoherent Dynamic Structure Function of the Free Fermi Gas

A detailed calculation of the coherent and incoherent dynamic structure functions of the free Fermi gas, starting from their expressions in terms of the one- and semi-diagonal two-body density matrices, is derived and discussed. Their behavior and evolution with the momentum transfer is analyzed, and particular attention is devoted to the contributions that both functions present at negative energies. Finally, an analysis of the energy weighted sum rules satisfied by both responses is also performed. Despite of the simplicity of the model, some of the conclusions can be extended to realistic systems.Comment: LaTeX, 3 figure

Dichloromethylation of enones by carbon nitride photocatalysis

Small organic radicals are ubiquitous intermediates in photocatalysis and are used in organic synthesis to install functional groups and to tune electronic properties and pharmacokinetic parameters of the final molecule. Development of new methods to generate small organic radicals with added functionality can further extend the utility of photocatalysis for synthetic needs. Herein, we present a method to generate dichloromethyl radicals from chloroform using a heterogeneous potassium poly(heptazine imide) (K-PHI) photocatalyst under visible light irradiation for C1-extension of the enone backbone. The method is applied on 15 enones, with γ,γ-dichloroketones yields of 18–89%. Due to negative zeta-potential (−40 mV) and small particle size (100 nm) K-PHI suspension is used in quasi-homogeneous flow-photoreactor increasing the productivity by 19 times compared to the batch approach. The resulting γ,γ-dichloroketones, are used as bifunctional building blocks to access value-added organic compounds such as substituted furans and pyrroles