نتایج جستجو برای: born approximation

تعداد نتایج: 249896  

Journal: :Nano letters 2009
Adam W Bushmaker Vikram V Deshpande Scott Hsieh Marc W Bockrath Stephen B Cronin

Raman spectra and electrical conductance of individual, pristine, suspended, metallic single-walled carbon nanotubes are measured under applied gate potentials. The G(-) band is observed to downshift with small applied gate voltages, with the minima occurring at E(F) = +/-(1)/(2)E(phonon), contrary to adiabatic predictions. A subsequent upshift in the Raman frequency at higher gate voltages res...

2007
Jeffry L. Stevens Jeffrey W. Given Heming Xu Eli Baker

The objective of this project is to optimize the measurement of surface waves, particularly at regional and local distances and at periods of 8–15 seconds. One goal of this project is the development of global regionalized dispersion and attenuation maps, with a particular focus on determining attenuation maps for Eurasia in the 8–15 second period band. Both the dispersion and attenuation maps ...

2000
Masaaki Kuroda

We review the results on representing the differential cross section for W-pair production, includingW decay and hard-photon bremsstrahlung, in terms of a Bornform approximation of fairly simple analytic form. The results of the Born-form approximation are compared with full-one-loop results. The emphasis is on the energy range of future e+e− (or μ+μ−) colliders. LC-TH-2000-018 BI-TP 2000/05 he...

Journal: :Annual review of physical chemistry 1998
L J Butler

To predict the branching between energetically allowed product channels, chemists often rely on statistical transition state theories or exact quantum scattering calculations on a single adiabatic potential energy surface. The potential energy surface gives the energetic barriers to each chemical reaction and allows prediction of the reaction rates. Yet, chemical reactions evolve on a single po...

1998
Nancy R. Forde Tanya L. Myers Laurie J. Butler

Whether a reaction is occurring in the gas phase or condensed phase, electronically nonadiabatic e†ects can become important if the adiabatic reaction coordinate requires a considerable change in the electronic wavefunction. The experiments and analysis presented here seek to make progress on a difficult and important problem, that of developing a back-ofthe-envelope method to predict which ene...

Journal: :The Journal of chemical physics 2006
Grigori Sigalov Andrew Fenley Alexey Onufriev

The modeling and simulation of macromolecules in solution often benefits from fast analytical approximations for the electrostatic interactions. In our previous work [G. Sigalov et al., J. Chem. Phys. 122, 094511 (2005)], we proposed a method based on an approximate analytical solution of the linearized Poisson-Boltzmann equation for a sphere. In the current work, we extend the method to biomol...

2017
Johannes Flick Heiko Appel Michael Ruggenthaler Angel Rubio

In this work, we illustrate the recently introduced concept of the cavity Born-Oppenheimer approximation [ Flick et al. PNAS 2017 , 10.1073/pnas.1615509114 ] for correlated electron-nuclear-photon problems in detail. We demonstrate how an expansion in terms of conditional electronic and photon-nuclear wave functions accurately describes eigenstates of strongly correlated light-matter systems. F...

2008
Hasi Ray

The survey reports theoretical studies involving positronium (Ps) atom scattering. Investigations carried out in last few decades have been briefly reviewed in this article. A brief description of close-coupling approximation (CCA), the firstBorn approximation (FBA) and the Born-Oppenheimer approximation (BOA) for Ps-Atom systems are made. The CCA codes of Ray et a1 [I-61 are reinvestigated usi...

2003
Y. Ohashi

We investigate nonmagnetic impurity effects in two-band superconductors, focusing on the effects of interband scatterings. Within the Born approximation, it is known that interband scatterings mix order parameters in the two bands. In particular, only one averaged energy gap appears in the excitation spectrum in the dirty limit. [G. Gusman: J. Phys. Chem. Solids 28 (1967) 2327.] In this paper, ...

بلوری زاده, محمد, قنبری عدیوی, ابراهیم,

  A second-order approximation to the Faddeev-Watson-Lovelace treatment of the rearrangement channel is used in a three-body scattering cross sections. In this formalism, the Three-body wave function is expressed by three coupled integral equations, the Faddeev equations, which contian the two-body (off-shell) transition amplitudes, and proved the uniqueness of their solutions. This amplitude c...

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