R. Guardiola

Strong-coupling expansions for the -symmetric oscillators

We study the traditional problem of convergence of perturbation expansions when the hermiticity of the Hamiltonian is relaxed to a weaker symmetry. An elementary and quite exceptional cubic anharmonic oscillator is chosen as an illustrative example of such models. We describe its perturbative features paying particular attention to the strong-coupling regime. Efficient numerical perturbation theory proves suitable for such a purpose.

A diffusion Monte Carlo study of small para-hydrogen clusters

An improved Monte Carlo diffusion model is used to calculate the ground state energies and chemical potentials of parahydrogen clusters of three to forty molecules, using two different p-H2-p-H2 interactions. The improvement is due to three-body correlations in the importance sampling, to the time step adjustment and to a better estimation of statistical errors. In contrast to path-integral Monte Carlo results, this method predicts no magic clusters other than that with thirteen molecules.

The spiked harmonic oscillatorV(r)=r2+λr−4 as a challenge to perturbation theory

The standard weak- and strong-coupling perturbation series are interpreted as extreme special cases of expansions obtainable within the framework of Rayleigh-Schroedinger perturbation theory with non-diagonal propagators and unspecified zero-order energies. The formalism of the latter type is then tested by our strongly singular example. It proves suitable for applications in the domain of virtually arbitrary couplings. A few related technicalities and especially the quadruple problem of convergence are also discussed.

Excitation levels and magic numbers of small parahydrogen clusters (N⩽40)

The excitation energies of parahydrogen clusters have been systematically calculated by the diffusion Monte Carlo technique in steps of 1 molecule from 3 to 40 molecules. These clusters possess a very rich spectra, with angular momentum excitations arriving up to L = 13 for the heavier ones. No regular pattern can be guessed in terms of the angular momenta and the size of the cluster. Clusters with N = 13 and 36 are characterized by a peak in the chemical potential and a large energy gap of the first excited level, which indicate the magical character of these clusters. From the calculated excitation energies, the partition function has been obtained, thus allowing for an estimate of thermal effects. An enhanced production is predicted for cluster sizes of N = 13, 31, and 36, which is in agreement with the experiment.The excitation energies of parahydrogen clusters have been systematically calculated by the diffusion Monte Carlo technique in steps of 1 molecule from 3 to 40 molecules. These clusters possess a very rich spectra, with angular momentum excitations arriving up to L=13 for the heavier ones. No regular pattern can be guessed in terms of the angular momenta and the size of the cluster. Clusters with N=13 and 36 are characterized by a peak in the chemical potential and a large energy gap of the first excited level, which indicate the magical character of these clusters. From the calculated excitation energies, the partition function has been obtained, thus allowing for an estimate of thermal effects. An enhanced production is predicted for cluster sizes of N=13, 31, and 36, which is in agreement with the experiment.

Computer algebra and large scale perturbation theory

This work presents a brief resume of our applications of computer algebra to the study of large-scale perturbation theory in quantum mechanical systems, both in the small and in the strong coupling regimes.

High-quality variational wave functions for small 4 He clusters

We report a variational calculation of ground state energies and radii of

Translationally-invariant coupled-cluster method for finite systems

{}^{4}{\mathrm{He}}_{N}

The spectra of mixed 3He-4He droplets.

droplets

The translationally-invariant coupled cluster method in coordinate space

(3l~Nl~40),

Alpha-cluster model for 8Be and 12C with correlated alpha particles

using the Aziz HFD-B (HE) atom-atom interaction. The trial wave function has a simple structure, combining two- and three-body correlation functions coming from a translationally invariant configuration-interaction description, and Jastrow-type short-range correlations. The calculated ground state energies differ by around 2% from the diffusion Monte Carlo results.