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The diffusion path and diffusivity of oxygen in crystalline silicon are computed using an empirical interatomic potential which was recently developed for modelling the interactions between oxygen and silicon atoms. The diffusion path is…

mtrl-th · Physics 2008-02-03 Z. Jiang , R. A. Brown

The interaction of hydrogen with many transition metal surfaces is characterized by a coexistence of activated with non-activated paths to adsorption with a broad distribution of barrier heights. By performing six-dimensional quantum…

Condensed Matter · Physics 2007-05-23 Axel Gross , Matthias Scheffler

In the dynamics of atoms and molecules at metal surfaces, electron-hole pair excitations can play a crucial role. In the case of hyperthermal hydrogen atom scattering, they lead to nonadiabatic energy loss and highly inelastic scattering.…

Materials Science · Physics 2024-12-02 Connor L. Box , Nils Hertl , Wojciech G. Stark , Reinhard J. Maurer

Excited atomic nitrogen atoms play an important role in plasma formation in hypersonic shock-waves, as happens during spacecraft reentry and other high velocity vehicle applications. In this study, we have thoroughly studied collision…

Chemical Physics · Physics 2024-04-24 Yanze Wu , Majdi Hochlaf , George C. Schatz

In this paper, we have studied the energy spectra and B(E2) transition probabilities of 124-130Ba isotopes in the shape phase transition region between the spherical and gamma unstable deformed shapes. We have used a transitional…

Nuclear Theory · Physics 2016-11-23 H. Sabri , M. Seidi

We use state- and time-resolved coherent Raman spectroscopy to study the rotational dynamics of oxygen molecules in ultra-high rotational states. While it is possible to reach rotational quantum numbers up to $N \approx 50$ by increasing…

Chemical Physics · Physics 2015-06-19 Alexander A. Milner , Aleksey Korobenko , Valery Milner

The H$_2$+H$_2$ system has long been considered as a benchmark system for ro-vibrational energy transfer in bimolecular collisions. However, most studies thus far have focused on collisions involving H$_2$ molecules in the ground…

Chemical Physics · Physics 2022-12-20 James F. E. Croft , Pablo G. Jambrina , F. Javier Aoiz , Hua Guo , N. Balakrishnan

An intriguing phenomenon in molecular collisions is the occurrence of scattering resonances, which originate from bound and quasi-bound states supported by the interaction potential at low collision energies. The resonance effects in the…

In the crystal of K$_3$H(SO$_4)_2$, or K$_3$D(SO$_4)_2$, dimers (SO$_4)...$H$...$(SO$_4)$, or (SO$_4)...$D$...$(SO$_4)$, are linked by strong centrosymmetric hydrogen or deuterium bonds whose O$...$O length is $\approx 2.50$ {\AA}. We…

Other Condensed Matter · Physics 2012-09-20 François Fillaux , Alain Cousson

We present a theoretical study of the impact of oxygen diffusion in oxide crystals on metal dopants ionic state and the conduction type under thermal equilibrium. Oxygen vacancy formation acting as a shallow, double-electronic donor is…

Materials Science · Physics 2018-06-06 Misha Sinder , Zeev Burshtein , Joshua Pelleg

State-selected total cross sections and thermal rate coefficients are computed for the HD + $ortho$-/$para$-H$_2$ rotational energy transfer collision at low temperatures: 2 K $\lesssim$ T $\lesssim$ 300 K. A modified H$_2$-H$_2$ potential…

Chemical Physics · Physics 2016-01-28 Renat A. Sultanov , Dennis Guster , S. K. Adhikari

Differential cross sections of the Coulomb deexcitation in the collisions of excited muonic hydrogen with the hydrogen atom have been studied for the first time. In the framework of the fully quantum-mechanical close-coupling approach both…

Nuclear Theory · Physics 2009-11-11 V. N. Pomerantsev , V. P. Popov

We discuss the effect of slow phase relaxation and the spin off-diagonal $S$-matrix correlations on the cross section energy oscillations and the time evolution of the highly excited intermediate systems formed in complex collisions. Such…

Quantum Physics · Physics 2008-11-26 Luis Benet , Lewis T. Chadderton , Sergey Yu. Kun , Oleg K. Vorov , Wang Qi

The quantum problem of four particles in $\mathbb{R}^d$ ($d\geq 3$), with arbitrary masses $m_1,m_2,m_3$ and $m_4$, interacting through an harmonic oscillator potential is considered. This model allows exact solvability and a critical…

Quantum Physics · Physics 2020-10-28 C. A. Escobar , A. Martín-Ruiz

The equation of state (EoS) of strongly interacting matter at finite temperature and chemical potentials (baryon, charge, and strangeness) is a crucial input for hydrodynamic simulations of relativistic heavy-ion collisions. We construct a…

Nuclear Theory · Physics 2026-04-27 Fu-Peng Li , Long-Gang Pang , Guang-You Qin

Is it possible to infer the time evolving quantum state of a multichromophoric system from a sequence of two-dimensional electronic spectra (2D-ES) as a function of waiting time? Here we provide a positive answer for a tractable model…

Quantum Physics · Physics 2015-05-27 Joel Yuen-Zhou , Alán Aspuru-Guzik

In this work, we study the quantum dynamics of a photoisomerization reaction employing a two-electronic-state three-vibrational-mode model of the 2-cis-penta-2,4-dieniminium cation (cis-PSB3). In particular, we address two main issues: the…

Spin-boson models are essentially useful in the understanding of quantum optics, nuclear physics, quantum dissipation, and quantum computation. We discuss quantum phase transitions in various spin-boson Hamiltonians, compare, and contrast…

Other Condensed Matter · Physics 2010-05-18 Karyn Le Hur

Scattering of positronium (Ps) by helium atom has been investigated in a three-Ps-state coupled-channel model including Ps(1s,2s,2p) states using a recently proposed time-reversal-symmetric regularized electron-exchange model potential.…

Atomic Physics · Physics 2009-11-06 Sadhan K. Adhikari