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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…

Chemical Physics · Physics 2014-01-17 Vytautas Butkus , Leonas Valkunas , Darius Abramavicius

It is shown that the drastic distinction in the rotational structure of molecules in the He4 and He3 liquids observed in [1] is due to the difference in the spectral density of excitations regardless of the hydrodynamic properties. The…

Statistical Mechanics · Physics 2009-10-31 V. S. Babichenko , Yu. Kagan

Based on a simplest molecular orbital theory of H$_{2}^{+}$, a three-parameter model potential function is proposed to describe ground-state diatomic systems with closed-shell and/or S-type valence-shell constituents over a significantly…

Chemical Physics · Physics 2009-11-11 Rui-Hua Xie , Jiangbin Gong

Molecular excited vibrational states are metastable states and we incorporate their finite lifetimes into the theory of vibrational energy transfer between weakly interacting molecules, i.e., at internuclear distances at which they do not…

Chemical Physics · Physics 2019-07-24 Lorenz S. Cederbaum

The role of a large dipole moment in rotating neutral molecules interacting with low-energy electrons is studied using an accurate {\it ab initio} approach accounting for electronic and rotational degrees of freedom. It is found that theory…

Atomic Physics · Physics 2023-05-03 Joshua Forer , Viatcheslav Kokoouline , Thierry Stoecklin

The aim of this article is a comprehensive description of normal modes of molecular vibrations. The starting point is chosen to be a general molecular system with separated center of mass and an arbitrary embedding of body-fixed axes. This…

Quantum Physics · Physics 2016-01-20 Emil Zak

Quasimolecules, which consist of two differently excited atoms in a resonantly excited gas, are considered. The energy of dissociation and typical sizes of such molecules are calculated in the first order of quantum-mechanical perturbation…

Quantum Physics · Physics 2008-09-10 V. N. Malnev , R. A. Naryshkin

We study the coupled rotation-vibration levels of a hydrogen molecule in a confining potential with cylindrical symmetry. We include the coupling between rotations and translations and show how this interaction is essential to obtain the…

Materials Science · Physics 2009-11-10 Taner Yildirim , A. Brooks Harris

A remarkable property of Rydberg atoms is the possibility to create molecules formed by one highly excited atom and another atom in the ground state. The first realisation of such a Rydberg molecule has opened an active field of physical…

Atomic Physics · Physics 2013-04-02 Andrej Junginger , Jörg Main , Günter Wunner

Several alternative methods for description of interaction between rotation and vibration are compared and contrasted using hyper-spherical coordinates for a triatomic molecule. These methods differ by the choice of z-axis and by the…

Chemical Physics · Physics 2020-07-01 Igor Gayday , Alexander Teplukhin , Brian K. Kendrick , Dmitri Babikov

The calculation of the hindered roton-phonon energy levels of a hydrogen molecule in a confining potential with different symmetries is systematized for the case when the rotational angular momentum $J$ is a good quantum number. One goal of…

Condensed Matter · Physics 2009-11-07 T. Yildirim , A. B. Harris

We investigate the prospects of creating broad rotational wave packets by means of molecular interaction with long sequences of intense femtosecond pulses. Using state-resolved rotational Raman spectroscopy of oxygen, subject to a sequence…

Quantum Physics · Physics 2016-01-27 M. Bitter , V. Milner

The issue of retarded long-range resonant interactions between two molecules with oscillating dipole moments is reinvestigated within the framework of classical electrodynamics. By taking advantage of a theorem in complex analysis, we…

Biological Physics · Physics 2012-01-26 Jordane Preto , Marco Pettini

The intrinsic width of (multiparticle-multihole) compound states is an elusive quantity, of difficult direct access, as it is masked by damping mechanisms which control the collective response of nuclei. Through microscopic cranked shell…

Nuclear Theory · Physics 2007-05-23 M. Matsuo , T. Døssing , B. Herskind , S. Leoni , E. Vigezzi , R. A. Broglia

Using a classical analytical criterion (that of curvature) and numerical results (Poincar\`e sections and spectral statistics), a transition order--chaos--order in the roto--vibrational model of atomic nuclei has been shown. Numerical…

Nuclear Theory · Physics 2015-06-26 V. R. Manfredi , L. Salasnich

This article investigates entanglement of the motional states of massive coupled oscillators. The specific realization of an idealized diatomic molecule in one-dimension is considered, but the techniques developed apply to any massive…

Quantum Physics · Physics 2015-03-13 N. L. Harshman , W. F. Flynn

It is shown that the recently observed Delta I = 2 staggering seen in superdeformed nuclear bands is also occurring in certain electronically excited rotational bands of diatomic molecules. In the case of diatomic molecules the effect is…

This is the manuscript of my "Habilitation \`a diriger des recherches", where I present the research work that I have done after my PhD, defended in 2009. The manuscript is divided in two parts. The first one is dedicated to…

Quantum Gases · Physics 2025-11-17 Maxence Lepers

The fragmentation of diatomic molecules under a stochastic force is investigated both classically and quantum mechanically, focussing on their dissociation probabilities. It is found that the quantum system is more robust than the classical…

Atomic Physics · Physics 2009-11-11 Anatole Kenfack , Jan M Rost

We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of \emph{trans}-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron in the…

Quantum Physics · Physics 2013-04-09 Ignacio Franco , Angel Rubio , Paul Brumer