Extension of PT-symmetric quantum mechanics to the Dirac theory with position-dependent mass

We present a new method to construct the exactly solvable PT-symmetric potentials within the framework of the position-dependent effective mass Dirac equation with the vector potential coupling scheme in 1 + 1 dimensions. In order to illustrate the procedure, we produce three PT-symmetric potentials as examples, which are PT-symmetric harmonic oscillator-like potential, PT-symmetric potential with the form of a linear potential plus an inversely linear potential, and PT-symmetric kink-like potential, respectively. The real relativistic energy levels and corresponding spinor components for the bound states are obtained by using the basic concepts of the supersymmetric quantum mechanics formalism and function analysis method. (C) 2007 Elsevier B.V. All rights reserved.

Sum rules in the oscillator radiation processes

We consider the problem of a harmonic oscillator coupled to a scalar field in the framework of recently introduced dressed coordinates. We compute all the probabilities associated with the decay process of an excited level of the oscillator. Instead of doing direct quantum mechanical calculations we establish some sum rules from which we infer the probabilities associated to the different decay processes of the oscillator. Thus, the sum rules allows to show that the transition probabilities between excited levels follow a binomial distribution. (c) 2005 Published by Elsevier B.V.

Collapse of attractive Bose-Einstein condensed vortex states in a cylindrical trap

The quantized vortex states of a weakly interacting Bose-Einstein condensate of atoms with attractive interatomic interaction in an axially symmetric harmonic oscillator trap are investigated using the numerical solution of the time-dependent Gross-Pitaevskii equation obtained by the semi-implicit Crank-Nicholson method. The collapse of the condensate is studied in the presence of deformed traps with the larger frequency along either the radial or the axial direction. The critical number of atoms for collapse is calculated as a function of the vortex quantum number L. The critical number increases with increasing angular momentum L of the cortex state but tends to saturate for large L.

Faddeev-jackiw formalism for A topological-like oscillator in planar dimensions

The problem of a harmonic oscillator coupling to an electromagnetic potential plus a topological-like (Chern-Simons) massive term, in two-dimensional space, is studied in the light of the symplectic formalism proposed by Faddeev and Jackiw for constrained systems.

Mapping Wigner distribution functions into semiclassical distribution functions

A mapping that relates the Wigner phase-space distribution function of a given stationary quantum mechani-cal wave function, a solution of the Schrödinger equation, to a specific solution of the Liouville equation, both subject to the same potential, is studied. By making this mapping, bound states are described by semiclassical distribution functions still depending on Planck's constant, whereas for elastic scattering of a particle by a potential they do not depend on it, the classical limit being reached in this case. Following this method, the mapped distributions of a particle bound in the Pöschl-Teller potential and also in a modified oscillator potential are obtained.

Galilean covariance and the Duffin-Kemmer-Petiau equation

We use a five-dimensional approach to Galilean covariance to investigate the non-relativistic Duffin-Kemmer-Petiau first-order wave equations for spinless particles. The corresponding representation is generated by five 6 × 6 matrices. We consider the harmonic oscillator as an example.

Galilean covariance and non-relativistic Bhabha equations

We apply a five-dimensional formulation of Galilean covariance to construct non-relativistic Bhabha first-order wave equations which, depending on the representation, correspond either to the well known Dirac equation (for particles with spin 1/2) or the Duffin-Kemmer-Petiau equation (for spinless and spin 1 particles). Here the irreducible representations belong to the Lie algebra of the 'de Sitter group' in 4 + 1 dimensions, SO(5, 1). Using this approach, the non-relativistic limits of the corresponding equations are obtained directly, without taking any low-velocity approximation. As a simple illustration, we discuss the harmonic oscillator.

Chaotic oscillation in an attractive Bose-Einstein condensate under an impulsive force

The chaotic oscillation in an attractive Bose-Einstein condensate (BEC) under an impulsive force was discussed using mean-field Gross-Pitaevskii (GP) equation. It was found that sustained chaotic oscillation resulted in a BEC under the action of an impulsive force generated by suddenly changing the interatomic scattering length or the harmonic oscillator trapping potential. The analysis suggested that the final state interatomic attraction played an important role in the generation of the chaotic dynamics.

Solução da equação de Fokker-Planck para o potencial do oscilador harmônico duplo

Pós-graduação em Biofísica Molecular - IBILCE

Análise das interações moleculares em blendas sintéticas tipo biodiesel/diesel por espectroscopia dielétrica e vibracional de absorção na região do infravermelho

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

O princípio de ação quântica de Schwinger: aspectos do tratamento de sistemas dependentes do tempo e interagentes

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

One-sided and two-sided Green's functions

We discuss the one-sided Green's function, associated with an initial value problem and the two-sided Green's function related to a boundary value problem. We present a specific calculation associated with a differential equation with constant coefficients. For both problems, we also present the Laplace integral transform as another methodology to calculate these Green's functions and conclude which is the most convenient one. An incursion in the so-called fractional Green's function is also presented. As an example, we discuss the isotropic harmonic oscillator.

Coordenadas vestidas: formulação segundo a interpretação de Dirac-Feynman para a mecânica quântica e aplicações em CQED

Pós-graduação em Física - IFT

Analytische Ableitungen der Energie für den "Equation-of-Motion-Coupled-Cluster"-Ansatz zur Berechnung von Ionisationspotentialen

In der vorliegenden Arbeit wird die Theorie der analytischen zweiten Ableitungen für die EOMIP-CCSD-Methode formuliert sowie die durchgeführte Implementierung im Quantenchemieprogramm CFOUR beschrieben. Diese Ableitungen sind von Bedeutung bei der Bestimmung statischer Polarisierbarkeiten und harmonischer Schwingungsfrequenzen und in dieser Arbeit wird die Genauigkeit des EOMIP-CCSD-Ansatzes bei der Berechnung dieser Eigenschaften für verschiedene radikalische Systeme untersucht. Des Weiteren können mit Hilfe der ersten und zweiten Ableitungen vibronische Kopplungsparameter berechnet werden, welche zur Simulation von Molekülspektren in Kombination mit dem Köppel-Domcke-Cederbaum (KDC)-Modell - in der Arbeit am Beispiel des Formyloxyl (HCO2)-Radikals demonstriert - benötigt werden.rnrnDer konzeptionell einfache EOMIP-CC-Ansatz wurde gewählt, da hier die Wellenfunktion eines Radikalsystems ausgehend von einem stabilen geschlossenschaligen Zustand durch die Entfernung eines Elektrons gebildet wird und somit die Problematik der Symmetriebrechung umgangen werden kann. Im Rahmen der Implementierung wurden neue Programmteile zur Lösung der erforderlichen Gleichungen für die gestörten EOMIP-CC-Amplituden und die gestörten Lagrange-Multiplikatoren zeta zum Quantenchemieprogramm CFOUR hinzugefügt. Die unter Verwendung des Programms bestimmten Eigenschaften werden hinsichtlich ihrer Leistungsfähigkeit im Vergleich zu etablierten Methoden wie z.B. CCSD(T) untersucht. Bei der Berechnung von Polarisierbarkeiten und harmonischen Schwingungsfrequenzen liefert die EOMIP-CCSD-Theorie meist gute Resultate, welche nur wenig von den CCSD(T)-Ergebnissen abweichen. Einzig bei der Betrachtung von Radikalen, für die die entsprechenden Anionen nicht stabil sind (z.B. NH2⁻ und CH3⁻), liefert der EOMIP-CCSD-Ansatz aufgrund methodischer Nachteile keine aussagekräftige Beschreibung. rnrnDie Ableitungen der EOMIP-CCSD-Energie lassen sich auch zur Simulation vibronischer Kopplungen innerhalb des KDC-Modells einsetzen.rnZur Kopplung verschiedener radikalischer Zustände in einem solchen Modellpotential spielen vor allem die Ableitungen von Übergangsmatrixelementen eine wichtige Rolle. Diese sogenannten Kopplungskonstanten können in der EOMIP-CC-Theorie besonders leicht definiert und berechnet werden. Bei der Betrachtung des Photoelektronenspektrums von HCO2⁻ werden zwei Alternativen untersucht: Die vertikale Bestimmung an der Gleichgewichtsgeometrie des HCO2⁻-Anions und die Ermittlung adiabatischer Kraftkonstanten an den Gleichgewichtsgeometrien des Radikals. Lediglich das adiabatische Modell liefert bei Beschränkung auf harmonische Kraftkonstanten eine qualitativ sinnvolle Beschreibung des Spektrums. Erweitert man beide Modelle um kubische und quartische Kraftkonstanten, so nähern sich diese einander an und ermöglichen eine vollständige Zuordnung des gemessenen Spektrums innerhalb der ersten 1500 cm⁻¹. Die adiabatische Darstellung erreicht dabei nahezu quantitative Genauigkeit.

Cyclobutadiene automerization and rotation of ethylene: Energetics of the barriers by using Spin-polarized wave functions

Spin-projected spin polarized Møller–Plesset and spin polarized coupled clusters calculations have been made to estimate the cyclobutadiene automerization, the ethylene torsion barriers in their ground state, and the gap between the singlet and triplet states of ethylene. The results have been obtained optimizing the geometries at MP4 and/or CCSD levels, by an extensive Gaussian basis set. A comparative analysis with more complex calculations, up to MP5 and CCSDTQP, together with others from the literature, have also been made, showing the efficacy of using spin-polarized wave functions as a reference wave function for Møller–Plesset and coupled clusters calculations, in such problems.