Related papers: Prediction of enthalpy for nitrogen gas revised
Iron represents the principal constituent of the Earth's core, but its high-pressure melting diagram remains ambiguous. Here we present a simple analytical approach to predict the melting properties of iron under deep-Earth conditions. In…
A comprehensive study of the mass sensitivity of the vibration-rotation-inversion transitions of $^{14}$NH$_3$, $^{15}$NH$_3$, $^{14}$ND$_3$, and $^{15}$ND$_3$ is carried out variationally using the TROVE approach. Variational calculations…
It is pointed out that first, contrary to the claim by Baym et al.[Phys. Rev. Lett 83, 1703 (1999)], the shift in the transition temperature of a weakly interacting Bose gas can be calculated perturbatively. And second, that the regime…
The eigenmodes and the vibrational density of states of the ground state configuration of graphene clusters are calculated using atomistic simulations. The modified Brenner potential is used to describe the carbon-carbon interaction and…
Low-order perturbation corrections to the electronic grand potential, internal energy, chemical potential, and entropy of a gas of noninteracting, identical molecules at a nonzero temperature are determined numerically as the…
The radial time-independent Schr\"odinger equation is solved for the diatomic molecules: H2, LiH, HCl, CO, VH, CrH, CuLi, TiC, NiC, and ScN using the recently developed Nikiforov-Uvarov Functional Analysis (NUFA) method. A modified Morse…
We show that the conclusion on the breakdown of the standard small polaron theory made recently by E.V. deMello and J. Ranninger (Phys. Rev. B 55, 14872 (1997)) is a result of an incorrect interpretation of the electronic and vibronic…
A simple one-dimensional semi-classical model with a Morse potential is used to investigate the possibility of two-color infrared multi-photon dissociation of vibrationally excited nitrogen oxide. The amplitude ratio effects and adiabatic…
We report the creation of an interacting cold Rydberg gas of strontium atoms. We show that the excitation spectrum of the inner valence electron is sensitive to the interactions in the Rydberg gas, even though they are mediated by the outer…
This Comment corrects two separate errors which previously appeared in the calculation of vibrational mode frequencies of tin spheres embedded in a silica matrix. The first error has to do with the vibrational frequency of a free elastic…
The construction of accurate interatomic potentials, and related fields of forces, from equilibrium conformational distributions of molecules is a crucial step in coarse-grained modeling. In this work we show that in order to develop…
Vibrational dephasing of nitrogen molecule is known to show highly interesting anomalies near its gas-liquid critical point. Here we present theoretical and computational studies of the Raman linewidth of nitrogen along the critical…
We demonstrate that the energy density of an accelerated fermion gas evaluated within quantum statistical approach in Minkowski space is related to a quantum correction to the vacuum expectation value of the energy-momentum tensor in a…
We report extensive theoretical calculations on the rotation-inversion excitation of interstellar ammonia (NH3) due to collisions with atomic and molecular hydrogen (both para- and ortho-H2). Close-coupling calculations are performed for…
Rotation-vibration spectra of the nitric acid molecule, HNO\3, are calculated for wavenumbers up to 7000~\cm. Calculations are performed using a Hamiltonian expressed in internal curvilinear vibrational coordinates solved using a hybrid…
When fluids of anisotropic molecules are placed in temperature gradients, the molecules may align themselves along the gradient: this is called thermo-orientation. We discuss the theory of this effect in a fluid of particles that interact…
Despite well over a century of effort, the proper expression for the classical entropy in statistical mechanics remains a subject of debate. The Boltzmann entropy (calculated from a surface in phase space) has been criticized as not being…
Motivated by precision computations of neutrino decoupling at MeV temperatures, we show how QED corrections to the thermal neutrino interaction rate can be related to the electron-positron spectral function as well as an effective…
Results are presented for highly accurate ab initio variational calculation of the rotation - vibration energy levels of H2O2 in its electronic ground state. These results use a recently computed potential energy surface and the variational…
Electric-dipole forbidden spectroscopic transitions in atoms form the basis of many advanced implementations of quantum computers, atomic clocks and quantum sensors. Coherently addressing such transitions in molecules which are among the…