Variational method for excited states from supersymmetric techniques

We suggest a method for constructing trial eigenfunctions for excited states to be used in the variational method. This method is a generalization of the one that uses a superpotential to obtain the trial functions for the ground state. The construction of an effective hierarchy of Hamiltonians is used to determine excited variational energies. The first four eigenvalues for a quartic double-well potential are calculated for several values of the potential parameter. The results are in very good agreement with the eigenvalues obtained by numerical integration.

Mean-field model of jet formation in a collapsing Bose-Einstein condensate

We perform a systematic numerical study, based on the time-dependent Gross-Pitaevskii equation, of jet formation in collapsing and exploding Bose-Einstein condensates as in the experiment by Donley et al (2001 Nature 412 295). In the actual experiment, via a Feshbach resonance, the scattering length of atomic interaction was suddenly changed from positive to negative on a pre-formed condensate. Consequently, the condensate collapsed and ejected atoms via explosion. On disruption of the collapse by suddenly changing the scattering length to zero, a radial jet of atoms was formed in the experiment. We present a satisfactory account of jet formation under the experimental conditions and also make predictions beyond experimental conditions which can be verified in future experiments.

Mixing-demixing in a trapped degenerate fermion-fermion mixture

We use a time-dependent dynamical mean-field-hydrodynamic model to study mixing-demixing in a degenerate fermion-fermion mixture (DFFM). It is demonstrated that with the increase of interspecies repulsion and/or trapping frequencies, a mixed state of a DFFM could turn into a fully demixed state in both three-dimensional spherically symmetric as well as quasi-one-dimensional configurations. Such a demixed state of a DFFM could be experimentally realized by varying an external magnetic field near a fermion-fermion Feshbach resonance, which will result in an increase of interspecies fermion-fermion repulsion, and/or by increasing the external trap frequencies. © 2006 The American Physical Society.

The gyromagnetic factor of elementary particles and non-minimal coupling

In this work we investigate a possible magnetic moment generation for massive neutral particles with spins-1 and -2 coupled non-minimally, in a specific way, to an external electromagnetic field. It is found that, in the nonrelativistic limit, these particles present g = 1. This result, worked out in the framework of Relativistic Quantum Mechanics, seems to suggest that g = 1 for all massive and neutral particles of any spin ≤ 2. We also compare with the results obtained for massive charged particles of spins-1 and -2, in the same regime (nonrelativistic), in order to investigate the role played by the spin separetely from the charge. Copyright © owned by the author(s) under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike Licence.

Dimensional effects on the momentum distribution of bosonic trimer states

The momentum distribution is a powerful probe of strongly interacting systems that are expected to display universal behavior. This is contained in the contact parameters which relate few- and many-body properties. Here we consider a Bose gas in two dimensions and explicitly show that the two-body contact parameter is universal and then demonstrate that the momentum distribution at next-to-leading order has a logarithmic dependence on momentum which is vastly different from the three-dimensional case. Based on this, we propose a scheme for measuring the effective dimensionality of a quantum many-body system by exploiting the functional form of the momentum distribution. © 2013 American Physical Society.

Experimental NMR and MS study of benzoylguanidines. Investigation of E/Z isomerism

Molecules containing the guanidinic nuclei possess several pharmacological applications, and knowing the preferred isomers of a potential drug is important to understand the way it operates pharmacologically. Benzoylguanidines were synthesized in satisfactory to good yields and characterized by NMR, Electrospray Ionization Mass Spectrometry (ESI-MS) and Fourrier Transform InfraRed Spectroscopy techniques (FTIR). E/Z isomerism of the guanidines was studied and confirmed by NMR analysis in solution (1H-13C Heteronuclear Single Quantum Coherence (HSQC) and Heteronuclear Multiple-Bond Correlation (HMBC), 1H-15N HMBC, 1H- 1H Correlation Spectroscopy (COSY) and Nuclear Overhauser Effect Spectroscopy (NOESY) experiments) at low temperatures. Compounds with p-Cl and p-Br aniline moiety exist mainly as Z isomer with a small proportion of E isomer, whereas compounds with p-NO2 moiety showed a decrease in proportion of isomer Z. The results are important for the application of these molecules as enzymatic inhibitors. Copyright © 2013 John Wiley & Sons, Ltd.

Modelling polymers with side chains: MEH-PPV and P3HT

Modelling polymers with side chains is always a challenge once the degrees of freedom are very high. In this study, we present a successful methodology to model poly[2-methoxy-5-(2′-ethyl-hexyloxy)-p-phenylenevinylene] (MEH-PPV) and poly[3-hexylthiophene] (P3HT) in solutions, taking into account the influence of side chains on the polymer conformation. Molecular dynamics and semi-empirical quantum mechanical methods were used for structure optimisation and evaluation of optical properties. The methodology allows to describe structural and optical characteristics of the polymers in a satisfactory way, as well as to evaluate some usual simplifications adopted for modelling these systems. Effective conjugation lengths of 8-14.6 and 21 monomers were obtained for MEH-PPV and P3HT, respectively, in accordance with experimental findings. In addition, anti/syn conformations of these polymers could be predicted based on intrinsic interactions of the lateral branches. © 2013 Copyright Taylor and Francis Group, LLC.

Can entanglement explain black hole entropy?

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Sistemas com dois geradores supersimétricos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Dinâmica de sistemas bipartites de spins no espaço de fase quântico discreto

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Método do hamiltoniano termodinamicamente equivalente para sistemas de muitos corpos

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Informação quântica e relatividade

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Modelamento do transporte eletrônico em dispositivos moleculares

No presente trabalho, simulamos as propriedades de transporte e espectro de absorção do composto orgânico Vermelho de Etila. Este é o primeiro estudo teórico de um indicador específico de pH utilizado como nanodispositivo, com base na teoria quântica e no modelo de transporte não-difuso. A distribuição de carga ao longo da molécula é determinada através da técnica, Ab initio, como uma função de um campo elétrico externo. Baseado em um modelo de multiníveis ressonantes também calculamos a corrente como função da tensão de polarização. O acúmulo de carga e a corrente apresentam comportamento semelhante, como a condução do tipo ressonante e curvas carga-tensão e corrente-tensão assimétricas. Os principais resultados sugerem que o sistema presente poderia funcionar como um transistor molecular bi-direcional. Estendemos esta metodologia de análise para outro dispositivo molecular, mas composto de três terminais. Para este sistema, nossa descoberta principal é a resistência diferencial negativa (RDN) na carga Q como uma função do campo elétrico externo. Para explicar este efeito RDN, aplicamos um modelo capacitivo fenomenológico, também baseado em um sistema de multiníveis localizados (que podem ser os LUMOs – Lowest Unoccupied Molecular Orbital – Orbitais moleculares desocupados mais baixos). A capacitância descreve, por efeito de carregamento, a causa do bloqueio de Coulomb (BC) no transporte. Mostramos que o efeito BC dá origem a uma RDN para um conjunto adequado de parâmetros fenomenológicos como: taxa de tunelamento e energia de carregamento. O perfil da RDN obtida nas duas metodologias, ab initio e fenomenológica, estão em comum acordo.

Structural, electronic and optical properties of Fe(III) complex with pyridine-2,6-dicarboxylic acid: A combined experimental and theoretical study

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Mecânica quântica e sua relação com terapias alternativas

Este trabalho propôs uma discussão crítica sobre os conceitos e fenômenos da Mecânica Quântica (MQ) empregados na explicação cientifíca que dá suporte quanto ao princípio de funcionamento de algumas terapias alternativas ou sobre a elaboração de seus respectivos medicamentos, em especial, Homeopatia e Cura Quântica. Essa discussão se faz importante para munir o leitor com argumentos sólidos calcados na teoria quântica e confrontá-los coma as ideias de simpatizantes leigos dessas terapias. Portanto, o trabalho visou descrever fatos históricos que tornaram possível a construção teórica da Mecânica Quântica, elaborou um resumo da loso a dominante que norteava o pensamento imediatamente anterior a MQ e o conflito que se seguiu em decorrência das implicações deste novo ramo da Física. Explorou o paradoxo EPR e o consequente teorema de John Bell sobre as desigualdades até chegar no experimento de Alain Aspect envolvendo laser para responder de forma prática e definitiva o paradoxo EPR. Finalmente, o trabalho apresentou um resumo das abordagens e argumentações defendidas pelos proponentes das terapias alternativas e confrontou com os conceitos da Mecânica Quântica, para enfim apresentar ao público um estudo científico sobre Homeopatia e Cura Quântica, e compreender os limites e equívocos empregados a essas terapias