相关论文: A simple approximation for fluids with narrow attr…
A perturbation approach based on the first-order mean spherical approximation (FMSA) is proposed. It consists in adopting a hard-sphere plus short-range attractive Yukawa fluid as the novel reference system, over which the perturbative…
We consider fluids where the attractive interaction at distances slightly larger than the particle size is dominated at larger distances by a repulsive contribution. A previous investigation of the effects of the competition between…
The random phase approximation (RPA) has received a considerable interest in the field of modeling systems where noncovalent interactions are important. Its advantages over widely used density functional theory (DFT) approximations are the…
We have analyzed the currently available simulation results, as well as performed some additional Monte Carlo simulation for the hard-core attractive Yukawa fluid in order to study its corresponding state behavior. We show that the values…
This paper shows that several known properties of the Yukawa system can be derived from the isomorph theory, which applies to any system that has strong correlations between its virial and potential-energy equilibrium fluctuations. Such…
A smooth cut-off formulation of the Hierarchical Reference Theory (HRT) is developed and applied to a Yukawa fluid. The HRT equations are derived and numerically solved leading to: the expected renormalization group structure in the…
The fluctuation-induced interaction between two rod-like, rigid inclusions in a fluid vesicle is studied by means of canonical ensemble Monte Carlo simulations. The vesicle membrane is represented by a triangulated network of hard spheres.…
We present an optimized random phase approximation method (optRPA26) that significantly improves upon conventional RPA. The method employs an empirically constructed hybrid functional to generate DFT orbitals to evaluate the RPA correlation…
With increasing inter-electronic distance, the screening of the electron-electron interaction by the presence of other electrons becomes the dominant source of electron correlation. This effect is described by the random phase approximation…
We explore different variants of the random phase approximation (RPA) to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated…
We study a model for an argon-like fluid parameterised in terms of a hard-core repulsion and a two-Yukawa potential. The liquid-gas phase behaviour of the model is obtained from the thermodynamically self-consistent Ornstein-Zernike…
We investigate the ability of the reference hypernetted-chain integral equation to describe the phase diagram of square-well fluids with four different ranges of attraction. Comparison of our results with simulation data shows that the…
We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in the way the exchange interactions are treated. One of these…
A limitation common to all extensions of random-phase approximation including only particle-hole configurations is that they violate to some extent the energy weighted sum rules. Considering one such extension, the improved RPA (IRPA),…
We propose an extension of the law of corresponding states that can be applied to systems - such as colloidal suspensions - that have widely different ranges of attractive interactions. We argue that, for such systems, the ``reduced''…
The Asakura-Oosawa model for colloid-polymer mixtures is studied by Monte Carlo simulations at densities inside the two-phase coexistence region of fluid and solid. Choosing a geometry where the system is confined between two flat walls,…
In numerous realizations of complex plasmas, dust-dust interactions are characterized by two screening lengths and are thus better described by a combination of Yukawa potentials. The present work investigates the static correlations and…
Strongly coupled systems occupying the transitional range between the Wigner crystal and fluid phases are most dynamic constituents of the nature. Highly localized but strongly interacting elements in this phase posses enough thermal energy…
We check the accuracy of the constrained random phase approximation (cRPA) downfolding scheme by considering one-dimensional two- and three-orbital Hubbard models with a target band at the Fermi level and one or two screening bands away…
The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large short-range error, which tends to cancel out of…