Search results for " molecule"
showing 10 items of 1523 documents
Emission properties of single InAs/GaAs quantum dot pairs and molecules grown in GaAs nanoholes
2010
Trabajo presentado a la "11th International Conference on Optics of Excitons in Confined Systems" (OECS), celebrada en en Madrid (España) del 7 al 11 de Septiembre de 2009.
Postpulse molecular alignment measured by a weak field polarization technique
2003
We report a direct nonintrusive observation of alignment and planar delocalization of ${\mathrm{C}\mathrm{O}}_{2}$ after an intense linearly polarized femtosecond laser pulse excitation. The effects are measured by a polarization technique involving a perturbative probe that itself does not induce appreciable alignment. We show that this technique allows one to measure a signal proportional to $⟨{cos}^{2}\ensuremath{\theta}⟩\ensuremath{-}1/3$, with $\ensuremath{\theta}$ the angle between the molecular axis and the laser polarization. Simulations that support this analysis allow one to characterize the experimentally observed alignment and planar delocalization quantitatively.
Multicomponent density-functional theory for time-dependent systems
2007
We derive the basic formalism of density functional theory for time-dependent electron-nuclear systems. The basic variables of this theory are the electron density in body-fixed frame coordinates and the diagonal of the nuclear N-body density matrix. The body-fixed frame transformation is carried out in order to achieve an electron density that reflects the internal symmetry of the system. We discuss the implications of this body-fixed frame transformation and establish a Runge-Gross-type theorem and derive Kohn-Sham equations for the electrons and nuclei. We illustrate the formalism by performing calculations on a one-dimensional diatomic molecule for which the many-body Schrodinger equati…
Electronic hamiltonian of diatomic molecules in the basis of coupled momenta eigenfunctions
1992
A systematic procedure has been developed to construct an electronic energy matrix for diatomics in the basis of antisymmetrized products of atomic wave functions represented as linear combinations of coupled momenta eigenfunctions. The exchange matrix element is expanded in powers of electronic interchange between atoms. General expressions of many-electron angular coefficients have been obtained for all types of products of one- and two-electron and overlap integrals in energy matrix elements. © 1992 John Wiley & Sons, Inc.
Even harmonics from laser driven homonuclear molecules
2007
The dynamics of a homonuclear diatomic molecule driven by a laser pulse is obtained beyond the fixed nuclei approximation. Laser parameters can be adjusted to confine the electron over one of the two nuclei for a relatively long time or not. A time-resolved analysis of the electromagnetic spectrum emitted by the molecule presents the usual odd harmonics far from confinement and even harmonics during the confinement periods. A physical interpretation of the results is given.
The emission time of harmonics emitted by a molecule
2003
The behaviour of a one-electron, one-dimensional, asymmetric molecule driven by a laser field of intermediate intensity is studied. At the laser intensity used, the electron bounces back and forth from one atom to another undergoing repeated collisions with the nuclei. The scattered electromagnetic spectrum shows even and odd harmonics of the pump frequency. By means of a wavelet transform it is seen that the harmonics are emitted at different instants of time, corresponding to different locations of the electron. It is suggested that the emission time can be used as a tool to determine the position of the electron.
Control of Electron Motion in a Molecular Ion: Dynamical Creation of a Permanent Electric Dipole
2007
The dynamics of a diatomic one-dimensional homonuclear molecule driven by a two-laser field is investigated beyond the usual fixed nuclei approximation. The dynamics of the nuclei is treated by means of Newton equations of motion; the full quantum description is used for the single active electron. The first laser pulse (pump) excites vibrations of the nuclei, while the second very short pulse (probe) has the role of confining the electron around one of the nuclei. We show how to use the radiation scattered in these conditions by the molecule to achieve real-time control of the molecular dynamics.
Atoms and molecules in cavities: A method for study of spatial confinement effects
1995
A general method for solving the problems of spatially confined quantum mechanical systems is proposed. The method works within the framework of the model space approximation. In the case of atoms and molecules trapped into any-shape microscopic cavity (like molecular sieves or fullerenes), the method reduces to a simple modification of the commonly used basis-set quantum chemical calculations. The modification consists of a particular rotation and projection in the model space, leading to solutions better adapted to the boundary conditions of the spatial confinement than the functions that describe the free systems. To illustrate how this method works, it has been applied to the hydrogen a…
Chapter 23. Singlet Order in Heteronuclear Spin Systems
2020
The concept of heteronuclear Long-Lived spin States (LLSs) is introduced. In the simplest case of a pair of heteronuclei, such states are given by the singlet order of the spin pair, which can be efficiently sustained under Zero or Ultra-Low Field (ZULF) conditions. Here we describe two possible ways of detecting long-lived singlet order of heteronuclei: detection at ZULF conditions and NMR (Nuclear Magnetic Resonance) detection at high field utilising fast field-cycling. A theoretical description of the underlying spin dynamics is presented for both cases; the discussion is supported by experimental examples of LLSs in 13CH groups. The generality of these phenomena is discussed, as well as…
Linear Dichroism in Photoemission from Oriented Molecules
1993
It is shown that oriented molecules reveal both Linear Dichroism (LD) and Linear Dichroism in the Angular Distribution (LDAD) of photoelectrons, which means a difference between photoelectron currents ejected at a definite angle by linearly polarized light of two mutually perpendicular polarizations. Measurements of LD and LDAD enable one to investigate the orientation of molecules and to make an essential step towards the complete quantummechanical experiment. As an example, LDAD in a model case of oriented heteronuclear diatomic molecules is presented.