The genesis of the quantum theory of the chemical bond

An historical overview is given of the relevant steps that allowed the genesis of the quantum theory of the chemical bond, starting from the appearance of the new quantum mechanics and following later developments till approximately 1931. General ideas and some important details are discussed concerning molecular spectroscopy, as well as quantum computations for simple molecular systems performed within perturbative and variational approaches, for which the Born-Oppenheimer method provided a quantitative theory accounting for rotational, vibrational and electronic states. The novel concepts introduced by the Heitler-London theory, complemented by those underlying the method of the molecular orbitals, are critically analyzed along with some of their relevant applications. Further improvements in the understanding of the nature of the chemical bond are also considered, including the ideas of one-electron and three-electron bonds introduced by Pauling, as well as the generalizations of the Heitler-London theory firstly performed by Majorana, which allowed the presence of ionic structures into homopolar compounds and provided the theoretical proof of the stability of the helium molecular ion. The study of intermolecular interactions, as developed by London, is finally examined.Comment: amsart, 34 pages, 2 figure

Modification of the Bloch law in ferromagnetic nanostructures

The temperature dependence of magnetization in ferromagnetic nanostructures (e.g., nanoparticles or nanoclusters) is usually analyzed by means of an empirical extension of the Bloch law sufficiently flexible for a good fitting to the observed data and indicates a strong softening of magnetic coupling compared to the bulk material. We analytically derive a microscopic generalization of the Bloch law for the Heisenberg spin model which takes into account the effects of size, shape and various surface boundary conditions. The result establishes explicit connection to the microscopic parameters and differs significantly from the existing description. In particular, we show with a specific example that the latter may be misleading and grossly overestimates magnetic softening in nanoparticles. It becomes clear why the usual $T^{3/2}$ dependence appears to be valid in some nanostructures, while large deviations are a general rule. We demonstrate that combination of geometrical characteristics and coupling to environment can be used to efficiently control magnetization and, in particular, to reach a magnetization higher than in the bulk material.Comment: 7 pages, 4 figure

Role of the attractive intersite interaction in the extended Hubbard model

We consider the extended Hubbard model in the atomic limit on a Bethe lattice with coordination number z. By using the equations of motion formalism, the model is exactly solved for both attractive and repulsive intersite potential V. By focusing on the case of negative V, i.e., attractive intersite interaction, we study the phase diagram at finite temperature and find, for various values of the filling and of the on-site coupling U, a phase transition towards a state with phase separation. We determine the critical temperature as a function of the relevant parameters, U/|V|, n and z and we find a reentrant behavior in the plane (U/|V|,T). Finally, several thermodynamic properties are investigated near criticality.Comment: 7 pages, 7 figures. EPJB Topical Issue on Novel Quantum Phases and Mesoscopic Physics in Quantum Gase

Quantum dynamics of a binary mixture of BECs in a double well potential: an Holstein-Primakoff approach

We study the quantum dynamics of a binary mixture of Bose-Einstein condensates (BEC) in a double-well potential starting from a two-mode Bose-Hubbard Hamiltonian. Focussing on the regime where the number of atoms is very large, a mapping onto a SU(2) spin problem together with a Holstein-Primakoff transformation is performed. The quantum evolution of the number difference of bosons between the two wells is investigated for different initial conditions, which range from the case of a small imbalance between the two wells to a coherent spin state. The results show an instability towards a phase-separation above a critical positive value of the interspecies interaction while the system evolves towards a coherent tunneling regime for negative interspecies interactions. A comparison with a semiclassical approach is discussed together with some implications on the experimental realization of phase separation with cold atoms.Comment: 12 pages, 7 figures, accepted for publication in J. Phys.

A conformal field theory description of magnetic flux fractionalization in Josephson junction ladders

We show how the recently proposed effective theory for a Quantum Hall system at "paired states" filling v=1 (Mod. Phys. Lett. A 15 (2000) 1679; Nucl. Phys. B641 (2002) 547), the twisted model (TM), well adapts to describe the phenomenology of Josephson Junction ladders (JJL) in the presence of defects. In particular it is shown how naturally the phenomenon of flux fractionalization takes place in such a description and its relation with the discrete symmetries present in the TM. Furthermore we focus on closed geometries, which enable us to analyze the topological properties of the ground state of the system in relation to the presence of half flux quanta.Comment: 16 pages, 2 figure, Latex, revised versio

Majorana and the theoretical problem of photon-electron scattering

Relevant contributions by Majorana regarding Compton scattering off free or bound electrons are considered in detail, where a (full quantum) generalization of the Kramers-Heisenberg dispersion formula is derived. The role of intermediate electronic states is appropriately pointed out in recovering the standard Klein-Nishina formula (for free electron scattering) by making recourse to a limpid physical scheme alternative to the (then unknown) Feynman diagram approach. For bound electron scattering, a quantitative description of the broadening of the Compton line was obtained for the first time by introducing a finite mean life for the excited state of the electron system. Finally, a generalization aimed to describe Compton scattering assisted by a non-vanishing applied magnetic field is as well considered, revealing its relevance for present day research.Comment: latex, amsart, 10 pages, 1 figur

Quantum Bose Josephson Junction with binary mixtures of BECs

We study the quantum behaviour of a binary mixture of Bose-Einstein condensates (BEC) in a double-well potential starting from a two-mode Bose-Hubbard Hamiltonian. We focus on the small tunneling amplitude regime and apply perturbation theory up to second order. Analytical expressions for the energy eigenvalues and eigenstates are obtained. Then the quantum evolution of the number difference of bosons between the two potential wells is fully investigated for two different initial conditions: completely localized states and coherent spin states. In the first case both the short and the long time dynamics is studied and a rich behaviour is found, ranging from small amplitude oscillations and collapses and revivals to coherent tunneling. In the second case the short-time scale evolution of number difference is determined and a more irregular dynamics is evidenced. Finally, the formation of Schroedinger cat states is considered and shown to affect the momentum distribution.Comment: 14 pages, 4 figure