Search results for "Interaction energy"
showing 10 items of 67 documents
Quantum field theory of dilute homogeneous Bose-Fermi mixtures at zero temperature: General formalism and beyond mean-field corrections
2002
We consider a dilute homogeneous mixture of bosons and spin-polarized fermions at zero temperature. We first construct the formal scheme for carrying out systematic perturbation theory in terms of single particle Green's functions. We introduce a new relevant object, the renormalized boson-fermion T-matrix which we determine to second order in the boson-fermion s-wave scattering length. We also discuss how to incorporate the usual boson-boson T-matrix in mean-field approximation to obtain the total ground state properties of the system. The next order term beyond mean-field stems from the boson-fermion interaction and is proportional to $a_{\scriptsize BF}k_{\scriptsize F}$. The total groun…
Resonance Dipole-Dipole Interaction Between Two Accelerated Atoms in the Presence of a Reflecting Plane Boundary
2018
We study the resonant dipole-dipole interaction energy between two uniformly accelerated identical atoms, one excited and the other in the ground state, prepared in a correlated {\em Bell-type} state, and interacting with the scalar field or the electromagnetic field nearby a perfectly reflecting plate. We suppose the two atoms moving with the same uniform acceleration, parallel to the plane boundary, and that their separation is constant during the motion. We separate the contributions of vacuum fluctuations and radiation reaction field to the resonance energy shift of the two-atom system, and show that Unruh thermal fluctuations do not affect the resonance interaction, which is exclusivel…
Van der Waals and resonance interactions between accelerated atoms in vacuum and the Unruh effect
2017
We discuss different physical effects related to the uniform acceleration of atoms in vacuum, in the framework of quantum electrodynamics. We first investigate the van der Waals/Casimir-Polder dispersion and resonance interactions between two uniformly accelerated atoms in vacuum. We show that the atomic acceleration significantly affects the van der Waals force, yielding a different scaling of the interaction with the interatomic distance and an explicit time dependence of the interaction energy. We argue how these results could allow for an indirect detection of the Unruh effect through dispersion interactions between atoms. We then consider the resonance interaction between two accelerat…
Time-dependent Casimir-Polder forces and partially dressed states
2002
A time-dependent CasimirPolder force is shown to arise during the time evolution of a partially dressed two-level atom. The partially dressed atom is obtained by a rapid change of an atomic parameter such as its transition frequency, due to the action of some external agent. The electromagnetic field fluctuations around the atom, averaged over the solid angle for simplicity, are calculated as a function of time, and it is shown that the interaction energy with a second atom yields a dynamical CasimirPolder potential between the two atoms.
Vacuum fluctuations and radiation reaction contributions to the resonance dipole-dipole interaction between two atoms near a reflecting boundary
2018
We investigate the resonance dipole-dipole interaction energy between two identical atoms, one in the ground state and the other in the excited state, interacting with the electromagnetic field in the presence of a perfectly reflecting plane boundary. The atoms are prepared in a correlated (symmetric or anti-symmetric) Bell-type state. Following a procedure due to Dalibard et. al. [J. Dalibard et. al., J. Phys. (Paris) {\bf 43}, 1617 (1982); {\bf 45}, 637 (1984)], we separate the contributions of vacuum fluctuations and radiation reaction (source) field to the resonance interaction energy between the two atoms, and show that only the source field contributes to the interatomic interaction, …
Dynamical Casimir-Polder force between an atom and a conducting wall
2008
The time-dependent Casimir-Polder force arising during the time evolution of an initially bare two-level atom, interacting with the radiation field and placed near a perfectly conducting wall, is considered. Initially the electromagnetic field is supposed to be in the vacuum state and the atom in its ground state. The analytical expression of the force as a function of time and atom-wall distance, is evaluated from the the time-dependent atom-field interaction energy. Physical features and limits of validity of the results are discussed in detail.
Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach
2013
The cooperative effects of hydrogen bonding in small water clus- ters (H2O)n (n = 3-6) have been studied by using the partition of the electronic energy in accordance with the interact- ing quantum atoms (IQA) approach. The IQA energy splitting is comple- mented by a topological analysis of the electron density (1(r)) compliant with the quantum theory of atoms-in-mole- cules (QTAIM) and the calculation of electrostatic interactions by using one- and two-electron integrals, thereby avoiding convergence issues inherent to a multipolar expansion. The results show that the cooperative effects of hy- drogen bonding in small water clusters arise from a compromise between: 1) the deformation energ…
Most of the field/inductive substituent effect works through the bonds
2019
AbstractAn application of the quantum chemical modeling allowed to investigate the nature of the field/inductive substituent effect (SE). For this purpose, series of X-tert-butyl···tert-butane (TTX) complexes (where X = NMe2, NH2, OH, OMe, Me, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, NO) were studied. A starting distance between central carbon atoms in substituted and unsubstituted fragments of TTX, dC1–C4, was the same as the distance C1–C4 in X-substituted bicyclo[2.2.2]octane (BCO), where the SE acts both via bonds and via space. A strength of interaction between substituted and unsubstituted components of TTX was described by deformation and interaction energies. The substituent …
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study
2014
The physisorption of molecular hydrogen onto coronene is studied using a multi-scale theoretical approach with Density Functional Theory (DFT) calculations and Molecular Dynamics (MD) simulations. We consider two different kinds of model conformation for the approach of hydrogen towards the coronene i.e., systematic and random. For the systematic attack of hydrogen over coronene, the resulting potential energy profiles from DFT analysis are further found to resemble the Morse potential, and even the highly flexible Murrell–Sorbie (M–S) potential. The resulting M–S fitting also shows a zero-point energy correction of ∼16–17%. On the other hand, the potential energies from the random approach…
Halogen bonds with coordinative nature: halogen bonding in a S–I+–S iodonium complex†
2015
A detailed study of unexpectedly strong iodonium–sulfur halogen bonds in [I(2-imidazolidinethione)2]+ is presented. The interactions are characterized by single-crystal X-ray diffraction, charge density analysis based on QTAIM calculations, mass spectrometry, and NMR spectroscopy. The results, small RIS = 0.7 and high interaction energy of −60 kJ mol−1, support a coordinative nature of the halogen bond between the iodonium ion and the sp2 hybridized sulfur atoms.