Related papers: Prediction of enthalpy for nitrogen gas revised
This comment corrects some errors which appeared in the calculation of an elastic sphere eigenenergies. As a result, the symmetry of the mode having the lowest frequency is changed. Also a direction for calculating the damping of these…
We study the translational motions of homonuclear diatomic molecules prepared in their ${}^3\Sigma$ electronic states, deeply bound vibrational states, and rotational states of well-defined parity. The trapping potential arises due to the…
We propose an accurate and efficient method to compute vibrational spectra of molecules, based on exact diagonalization of an algebraically calculated matrix based on powers of Morse coordinate. The present work focuses on the 1D potential…
In this comment, we show that the fundamental equation worked by Dvornikov in his paper is incorrect, which is given by the Dirac equation for a neutrino interacting with matter in a rotating frame (or curved space-time). In particular,…
For a hydrogen atom subject to a constant magnetic field, we report a numerical realization of the two-dimensional Non-Linearization Procedure (NLP) to estimate the accuracy of the variational energy associated with a given trial function.…
We study theoretically the quantum dynamics of nitrogen molecules (N$_2$) exposed to intense and ultrafast x-rays at a wavelength of 1.1 nm (1100 eV photon energy) from the Linac Coherent Light Source (LCLS) free electron laser. Molecular…
Inspired by some recent experiments and numerical works related to nanoresonators, we perform classical molecular dynamics simulations to investigate the thermal expansion and the ability of the device to act as a strain sensor assisted by…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid zirconium in the vicinity of melting. An overview of available experimental data is also presented. We focus on the analysis of thermal…
A convenient model for estimating the total entropy ({\Sigma}Si) of atmospheric gases based on physical action is proposed. This realistic approach is fully consistent with statistical mechanics, but uses the properties of translational,…
Understanding neutron-proton(np) interaction has been one of the most studied problems. One way to construct model interaction has been using inversion potentials obtained from experimental scattering phase shifts(SPS). Here, we show that,…
The physical impossibility of heat transfer under isothermal conditions implies that the classical expression for the entropy of the ideal gas may not be compatible with the internal energy of the gas itself. A corrected expression of the…
An exchange correlation energy functional involving fractional power of the one-body reduced density matrix [Phys. Rev. B {\bf 78}, 201103 (2008)] is applied to finite systems and to the homogeneous electron gas. The performance of the…
We introduce an accurate and efficient algebraic technique for the computation of the vibrational spectra of triatomic molecules, of both linear and bent equilibrium geometry. The full three-dimensional potential energy surface (PES), which…
We present a general mathematical procedure to handle interactions described by a Morse potential in the presence of a strong harmonic excitation. We account for permanent and field-induced terms and their gradients in the dipole moment…
Nota bene: the numerical calculation underlying Version 1 of this reply and the original work Phys.Rev. C71:064903,2005 contains a basic numerical error (wrong factor in the self-energy formulas of Phys. Rev.C71:064903,2005). This renders…
The hydrogen molecule has become a test ground for quantum electrodynamical calculations in molecules. Expanding beyond studies on stable hydrogenic species to the heavier radioactive tritium-bearing molecules, we report on a measurement of…
One explanation of the thermalization of an isolated quantum system is the eigenstate thermalization hypothesis, which posits that all energy eigenstates are thermal. Based on this idea, we use dynamical typicality to predict the thermal…
We study energy and particle transport for one-dimensional strongly interacting bosons through a single channel connecting two atomic reservoirs. We show the emergence of particle- and energy- current separation, leading to the violation of…
We study the exchange of kinetic energy between translational and rotational degrees of freedom for inelastic collisions of rough spheres. Even if equipartition holds in the initial state it is immediately destroyed by collisions. The…