Related papers: A simple approximation for fluids with narrow attr…
Exponential approximation based on the first order mean spherical approximation (FMSA) is applied to the study of the structure and thermodynamics of hard-core repulsive Yukawa fluids. The proposed theory utilizes an exponential enhancement…
We revisit the connection between equation-of-motion coupled cluster (EOM-CC) and random phase approximation (RPA) explored recently by Berkelbach [J. Chem. Phys. 149, 041103 (2018)] and unify various methodological aspects of these diverse…
It was recently shown that vapor-liquid coexistence densities derived from Mie and Yukawa models collapse to define a single master curve when represented against the difference between the reduced second virial coefficient at the…
The structural and thermodynamic properties of fluids whose molecules interact via potentials with a hard-core plus a square well, a square shoulder, and a second square well, are considered. Those properties are derived by using a…
Euler alignment systems appear as hydrodynamic limits of interacting self-propelled particle systems such as the (generalized) Cucker-Smale model. In this work, we study weak solutions to an Euler alignment system on smooth, bounded,…
We study the gas-liquid phase diagram and the crossover behavior of a simple model of ionic fluid: an equimolar binary mixture of equisized hard spheres interacting through screened Coulomb potentials which are repulsive between particles…
Random Phase Approximation (RPA) is the theory most commonly used to describe the excitations of many-body systems. In this article, the secular equations of the theory are obtained by using three different approaches: the equation of…
In this paper, we give a rigorous mathematical justification for the relaxation time approximation (RTA) model. We find that only the RTA with an energy-independent relaxation time can be justified in the case of hard interactions.…
We determine the correlation energy of BN, SiO$_2$ and ice polymorphs employing a recently developed RPAx (random phase approximation with exchange) approach. The RPAx provides larger and more accurate polarizabilities as compared to the…
A thermodynamically consistent density functional-perturbation theory is used to study the isostructural solid-to-solid transition which takes place in the hard sphere/attractive Yukawa system when the Yukawa tail is sufficiently…
The interaction of qubits with quantized modes of electromagnetic fields has been largely addressed in the quantum optics literature under the rotating wave approximation (RWA), where rapid oscillating terms in the qubit-mode interaction…
Based on an equations--of--motion approach for time--dependent pair correlations in strongly interacting Fermi liquids, we have developed a theory for describing the excitation spectrum of these systems. Compared to the known ``correlated''…
The particle-particle random phase approximation (pp-RPA) has been shown to be capable of describing double, Rydberg, and charge transfer excitations, for which the conventional time-dependent density functional theory (TDDFT) might not be…
We present an efficient implementation of the random phase approximation (RPA) for molecular systems within the domain-based local pair natural orbital (DLPNO) framework. With optimized parameters, DLPNO-RPA achieves approximately 99.9%…
A non-linear conjugate gradient optimization scheme is used to obtain excitation energies within the Random Phase Approximation (RPA). The solutions to the RPA eigenvalue equation are located through a variational characterization using a…
The hierarchy of pure states (HOPS) is a wavefunction-based method which can be used for numerically modeling open quantum systems. Formally, HOPS recovers the exact system dynamics for an infinite depth of the hierarchy. However,…
Recently we have proposed (J. Chem. Phys. 128 (2008) 134508) a new rescaling of fluid density $\rho $ by its critical value $\rho_c^{2/3}$ to apply the corresponding states law for the attractive Yukawa fluids study. Analysis of precise…
Despite extensive experimental and theoretical efforts, a concise quantitative theory to predict the occurrence of like-charge attraction (LCA) between polarizable spheres remains elusive. In this work, we first derive a novel three-point…
We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn-Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In…
We address the problem of the vapor-liquid phase transition in the restricted primitive model (RPM) using Wertheim's statistical associating fluid theory to capture the effects of ion pairing which dominate the low-temperature vapor phase.…