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相关论文: A general algebraic model for molecular vibrationa…

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We apply the Anharmonic Oscillator Symmetry Model to the description of vibrational excitations in ${\cal D}_{3h}$ and ${\cal T}_d$ molecules. A systematic procedure can be used to establish the relation between the algebraic and…

chem-ph · 物理学 2008-02-03 A. Frank , R. Lemus , R. Bijker , F. Perez-Bernal , J. M. Arias

We apply a symmetry-adapted algebraic model to the vibrational excitations in D_3h and T_d molecules. A systematic procedure is used to establish the relation between the algebraic and configuration space formulations. In this way we have…

化学物理 · 物理学 2017-11-02 A. Frank , R. Lemus , R. Bijker , F. Perez-Bernal , J. M. Arias

We present a symmetry-adapted version of the vibron model and discuss an application to D_{3h} triatomic molecules: H_3^+, Be_3 and Na_3^+.

化学物理 · 物理学 2017-11-02 A. Frank , R. Lemus , F. Perez-Bernal , R. Bijker , J. M. Arias

We discuss a symmetry-adapted algebraic (or vibron) model for molecular spectroscopy. The model is formulated in terms of tensor operators under the molecular point group. In this way, we have identified interactions that are absent in…

化学物理 · 物理学 2017-11-02 R. Bijker , A. Frank , R. Lemus , J. M. Arias , F. Perez-Bernal

An algebraic method especially suited to describe strongly anharmonic vibrational spectra in molecules may be an appropriate framework to study vibrational spectra of Na$^+_n$ clusters, where nearly flat potential energy surfaces and the…

化学物理 · 物理学 2009-10-30 A. Frank , R. Lemus , R. Bijker , F. Perez-Bernal , J. M. Arias

A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…

化学物理 · 物理学 2014-01-17 Vytautas Butkus , Leonas Valkunas , Darius Abramavicius

A new spectrum generating algebra for a unified description of rotations and vibrations in polyatomic molecules is introduced. An application to nonlinear X$_3$ molecules shows that this model (i) incorporates exactly the relevant point…

chem-ph · 物理学 2009-10-28 R. Bijker , A. E. L. Dieperink , A. Leviatan

Interacting dipole ($p$) bosons along with scalar ($s$) bosons, based on the ideas drawn from the interacting boson model of atomic nuclei, led to the development of the vibron model based on $U(4)$ spectrum generating algebra for diatomic…

化学物理 · 物理学 2021-07-15 V. K. B. Kota

An algebraic model in terms of a local harmonic boson realization was recently proposed to study molecular vibrational spectra [Zhong-Qi Ma et al., Phys. Rev. A 53, 2173 (1996)]. Because of the local nature of the bosons the model has to…

化学物理 · 物理学 2009-10-30 R. Lemus , F. Perez-Bernal , A. Frank , R. Bijker , J. M. Arias

An algebraic model based on Lie-algebraic techniques is applied to the analysis of thermodynamic vibrational properties of diatomic molecules. The local anharmonic effects are described by a Morse-like potential and corresponding anharmonic…

统计力学 · 物理学 2007-05-23 Maia Angelova , A. Frank

An algebraic model based on Lie-algebraic and discrete symmetry techniques is applied to the analysis of thermodynamic vibrational properties of molecules. The local anharmonic effects are described by a Morse-like potential and the…

统计力学 · 物理学 2017-08-23 Maia Angelova , A. Frank

We consider an algebraic treatment of a three-body system. We develop the formalism for a system of three identical objects and show that it provides a simultaneous description of the vibrational and rotational excitations of an oblate…

核理论 · 物理学 2009-10-30 R. Bijker , A. Leviatan

A U(2) algebraic model is presented to describe stretching vibrations of XY$_n$ (n=2, 3, and 4) systems, where anharmonic interactions between the bond modes are considered. This model in a limit corresponds to an anharmonically coupled…

化学物理 · 物理学 2009-10-31 Xi-Wen Hou , Shi-Hai Dong , Zhong-Qi Ma

A Fermi resonance-algebraic model is proposed for molecular vibrations, where a U(2) algebra is used for describing the vibrations of each bond, and Fermi resonances between stretching and bending modes are taken into account. The model for…

化学物理 · 物理学 2015-06-26 Xi-Wen Hou , Shi-Hai Dong , Zhong-Qi Ma

We discuss an algebraic treatment of three-body systems in terms of a U(7) spectrum generating algebra. In particular, we develop the formalism for nonlinear configurations and present an algebraic description of vibrational and rotational…

核理论 · 物理学 2009-10-30 R. Bijker , A. Leviatan

We propose a method, based on a Generalized Heisenberg Algebra (GHA), to reproduce the anharmonic spectrum of diatomic molecules. The theoretical spectrum generated by GHA allows us to fit the experimental data and to obtain the…

化学物理 · 物理学 2009-11-11 J. de Souza , N. M. Oliveira-Neto , C. I. Ribeiro-Silva

We propose an accurate and efficient method to compute vibrational spectra of molecules, based on exact diagonalization of an algebraically calculated matrix based on powers of Morse coordinate. The present work focuses on the 1D potential…

化学物理 · 物理学 2009-11-13 Andrea Bordoni , Nicola Manini

This article covers few selected aspects of quantum theory of molecular rotations and vibrations. Triatomic molecules are the simplest systems, which show qualitative characteristics of larger polyatomic molecules. On the minimal example of…

化学物理 · 物理学 2022-03-18 Emil J. Zak

The system of two $Q$-deformed oscillators coupled so that the total Hamiltonian has the su$_Q$(2) symmetry is proved to be equivalent, to lowest order approximation, to a system of two identical Morse oscillators coupled by the…

量子物理 · 物理学 2009-10-30 Dennis Bonatsos , C. Daskaloyannis , P. Kolokotronis

The behavior of polyatomic molecules around their equilibrium positions can be regarded as quantum coupled anharmonic oscillators. Solving the corresponding Schr\"odinger equations can interpret or predict experimental spectra of molecules.…

化学物理 · 物理学 2024-07-10 Qi Zhang , Rui-Si Wang , Lei Wang
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