Related papers: Theoretical Study of Quantum Scattering Processes …
This paper extends the previously reported theory of dissipation pathways [J. Chem. Phys. 160, 214111 (2024)] to incorporate off-diagonal subsystem-bath coupling, which is often required to model molecular systems where the environment…
The dynamics of the reaction H + OH $\to$ O (3P) + H2 have been studied in a series of quasi-classical trajectory (QCT) calculations and transition state theory (TST) methods using high quality 3A' and 3A'' potential energy surfaces (PESs).…
Atomic and molecular scattering at semiconductor interfaces plays a central role in surface chemistry and catalysis, yet predictive simulations remain challenging due to strong nonadiabatic effects causing the breakdown of the…
The measurement of the pion-nucleon scattering lengths constitutes a high-precision test of the methods of Chiral Pertubation Theory, which is the low-energy approach of QCD. The pion-nucleon s-wave scattering lengths are related to the…
We consider pionic hydrogen A_(pi p), the bound pi^- p state. Within the quantum field theoretic and relativistic covariant approach we calculate the shift and width of the energy level of the ground state of pionic hydrogen caused by…
We present a unified view of the frequency dependence of the various scattering processes involved when a neutral hydrogen atom interacts with a monochromatic, linearly-polarized photon. A computational approach is employed of the atom…
In this work, we extract the QCD Equation of State (EoS) using experimental results of the $\phi$ meson produced in nuclear collisions at AGS, SPS and RHIC energies. The data are confronted to simple thermodynamic expectations and lattice…
We present a comprehensive analysis of the emerging order and chaos and enduring symmetries, accompanying a generic (high-barrier) first-order quantum phase transition (QPT). The interacting boson model Hamiltonian employed, describes a QPT…
The three-body Schr\"odinger equation of the H$_2^+$ hydrogen molecular ion with Coulomb potentials is solved in perimetric coordinates using the Lagrange-mesh method. The Lagrange-mesh method is an approximate variational calculation with…
The dynamics of the C($^{3}$P) + O$_{2}$($^3\Sigma_{g}^{-}$) $\rightarrow$ CO($^{1}\Sigma^{+}$)+ O($^{1}$D) reaction on its electronic ground state is investigated by using time-dependent wave packet propagation (TDWP) and quasi-classical…
The Diep and Johnson (DJ) H$_2$-H$_2$ potential energy surface (PES) obtained from the first principles [P. Diep, K. Johnson, J. Chem. Phys. 113, 3480 (2000); 114, 222 (2000)], has been adjusted through appropriate rotation of the…
In order to improve our understanding of the kinetics of the cometary coma, theoretical studies of the major reactive collisions in these environments are needed. Deep in the collisional coma, inelastic collisions between thermal electrons…
Calculating the observable properties of chemical systems is often classically intractable and is widely viewed as a promising application of quantum information processing. Yet one of the most common and important chemical systems in…
The reaction mechanism of the central collisions and peripheral collisions for $^{112,124}Sn+^{112,124}Sn$ at $E/A=50MeV$ is investigated within the framework of the Improved Quantum Molecular Dynamics model. The results show that…
The differential and total cross sections for the scattering of muonic, pionic, kaonic and antiprotonic hydrogen in excited states from atomic hydrogen have been calculated for the purpose of atomic cascade calculations. The scattering…
Precise solutions of the Hartree-Fock equations for the ground state of the hydrogen molecule are obtained for a wide range of internuclear distances R by means of a two-dimensional fully numerical mesh computational method. The spatial…
Hydrogen recombination is one of the most important atomic processes in many astrophysical objects such as Type II supernova (SN~II) atmospheres, the high redshift universe during the cosmological recombination era, and H II regions in the…
We consider a dimer formed by two particles with an attractive contact interaction in one dimension, colliding with a hard wall. We compute the scattering phase shifts and the reflection coefficients for various collision energies and…
The problem of antiproton scattering on the molecular Hydrogen is investigated by means of wave packet dynamics. The electronically potential energy surfaces of the antiproton H2 system are presented within this work. Excitation and…
We argue that due to isospin and U-spin invariance of strong low-energy interactions the S-wave scattering lengths a^0_0 and a^1_0 of bar-KN scattering with isospin I=0 and I = 1 satisfy the low-energy theorem a^0_0 + 3 a^1_0 = 0 valid to…