Related papers: Gaussian-Charge Polarizable Interaction Potential …
This work is the second in the series "On the performance of QTP functionals applied to second-order response properties." In the first paper (J. Chem. Phys. 162, 054105, 2025), we demonstrated the good performance of Quantum Theory Project…
The electrostatic interaction between two non-identical, moderately charged colloids situated in close proximity of each other at a fluid interface is studied. By resorting to a well-justified model system, this problem is analytically…
A classical electrostatic solution for polarisation charge on the interface of a dielectric cavity interacting with an internal point charge is presented. This solution comes from the Gauss electrostatic potential as a sum of two terms, the…
Under a pressure of ~150 GPa solid molecular hydrogen undergoes a phase transition accompanied by a dramatic rise in infra-red absorption in the vibron frequency range. We use the Berry's phase approach to calculate the electric…
Experimental results and high-level quantum chemical ab initio calculations of the static polarizability $\alpha_0=\alpha(\omega=0)$ of the cadmium ${^1S_0}$ state are still in marked disagreement. Here we analyze this discrepancy by using…
Collinear and canted magnetic motifs in haematite were investigated by Kokubun et al. (2008) using x-ray Bragg diffraction magnified at the iron K-edge, and analyses of observations led to various potentially interesting conclusions. We…
We investigate the time-dependent Casimir-Polder potential of a polarizable two-level atom placed near a surface of arbitrary material, after a sudden change in the parameters of the system. Different initial conditions are taken into…
The analytic expressions for the free energy and entropy of the Casimir-Polder interaction between a polarizable and magnetizable atom and a graphene sheet are found in the limiting case of low temperature. In so doing, the response of…
Variational, nonrelativisitic energies have been calculated for the ground state ($^3P_g$) and the lowest quintuplet state ($^5S_u$) of the carbon atom, with wavefunctions expressed in the basis of symmetry-projected, explicitly correlated…
A new ab initio interaction potential for the electronic ground state of the argon dimer has been developed. The new potential uses previously calculated accurate Born--Oppenheimer potential while significantly improving the description of…
We extend a recent three-loop calculation of nuclear matter in chiral perturbation theory by including the effects from two-pion exchange with single and double virtual $\Delta(1232)$-isobar excitation. Regularization dependent short-range…
We consider the two-dimensional Fermi gas at finite temperature with attractive short-range interactions. Using the virial expansion, which provides a controlled approach at high temperatures, we determine the spectral function and contact…
We study a system of penetrable bosons on a line, focusing on the high-density/weak-interaction regime, where the ground state is, to a good approximation, a condensate. Under compression, the system clusterizes at zero temperature, i.e.,…
We investigate the phase behaviour of mixtures of two populations of colloidal particles dispersed in a binary solvent system near its critical composition. The surfaces of particles are chemically modified to elicit a specific solvent…
Interpretations of the very rich second solar spectrum of the MgH molecule face serious problems owing to the complete lack of any information about rates of collisions between the MgH and hydrogen atoms. This work seeks to begin the…
According to extensive experimental findings, the Ginzburg temperature $t_{G}$ for ionic fluids differs substantially from that of nonionic fluids [Schr\"oer W., Weig\"{a}rtner H. 2004 {\it Pure Appl. Chem.} {\bf 76} 19]. A theoretical…
A number of properties of the Uehling potential are investigated. In particular, we determine the Fourier spatial resolution of the Uehling potential. The lowest-order correction on vacuum polarisation is re-written in terms of the electron…
In this paper we derive an equation of state for liquid cesium based on a suggested potential function in accord to the characteristics large attraction and soft repulsion at the asymptotes of interaction potentials. By considering the…
An exchange-correlation energy functional $ E_{\mathrm xc} $ and the resultant exchange-correlation potential $ v_{\mathrm xc}({\bf r}) $ in density-functional theory are proposed using orbital-dependent coupling-constant-averaged pair…
The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline earth atoms, and the inert gases are tabulated along with the resulting values of the atomic static polarizabilities,…