Related papers: Loop expansion in polymer field theory: applicatio…
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…
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…
We study phase separation and transient gelation in a mixture consisting of polydisperse colloids and non-adsorbing polymers, where the ratio of the average size of the polymer to that of the colloid is approximately 0.063. Unlike what has…
We investigate the steady-state extensional rheology of a dilute suspension of spherical particles in a dilute polymer solution. For a particle-free polymeric fluid, in addition to the solvent viscosity, the extensional viscosity due to the…
The associative interaction, such as hydrogen bonding, can bring about versatile functionalities to polymer systems, which has been investigated by tremendous researches, but the fundamental understanding on association process is still…
Coherent potential approximation (CPA) has widely been used for studying residual resistivity of bulk alloys and electrical conductivity in inhomogeneous systems with structural disorder. Here we revisit the single-site CPA within the…
The Random Phase and Amplitude Formalism (RPA) has significantly extended the scope of weak turbulence studies. Because RPA does not assume any proximity to the Gaussianity in the wavenumber space, it can predict, for example, how the…
The Hartree-Fock-RPA approach is applied to the 1D anti-ferromagnetic Heisenberg model in the Jordan-Wigner representation. Somewhat contrary to expectation, this leads to reasonable results for spectral functions and sum rules in the…
A new mean-field type theory is proposed to study order-disorder transitions (ODT) in block copolymers. The theory applies to both the weak segregation (WS) and the strong segregation (SS) regimes. A new energy functional is proposed…
We apply the computational methodology of phase retrieval to the problem of folding heteropolymers. The ground state fold of the polymer is defined by the intersection of two sets in the configuration space of its constituent monomers: a…
We propose a practical method to solve the random-phase approximation (RPA) in the self-consistent Hartree-Fock (HF) and density-functional theory. The method is based on numerical evaluation of the residual interactions utilizing finite…
The non-stretching approximation of polymer rheology simplifies a constitutive equation but fundamentally changes its behavior in fast flows, and the circumstances under which fast flows emerge cannot always be predicted a-priori. In this…
A fully self-consistent renormalized random-phase approximation is constructed based on the self-consistent Hartree-Fock mean field plus exact pairing solutions (EP). This approach exactly conserves the particle number and restores the…
An extension of the Asakura-Oosawa-Vrij model of hard sphere colloids and non-adsorbing polymers, that takes polymer non-ideality into account through a repulsive stepfunction pair potential between polymers, is studied with grand canonical…
Brownian motion and viscoelasticity of semiflexible polymers is a subject that has been studied for many years. Still, rigorous analysis has been hindered due to the difficulty in handling the constraint that polymer chains cannot be…
The formation of (bio)molecular condensates via liquid-liquid phase separation in cells has received increasing attention, as these coacervates play important functional and regulatory roles within biological systems. However, the majority…
In this note we study the field theory of dynamic isotropic percolation (DIP) with quenched randomness that has long range correlations decaying as $r^{-a}$. We argue that the quasi static limit of this field theory describes the critical…
The accuracy of the constrained random phase approximation(cRPA) method is examined in multi-orbital Hubbard models containing all possible on-site density-density interactions. Using DMFT, we show that the effective model constructed using…
This study focuses on comparing the individual polymer chain dynamics in an entangled polymeric liquid under different shear and extension rates. Polymer chains under various shear rates and extension rates were simulated using a…
Broadband energy-time entanglement can be used to enhance the rate of two-photon absorption (TPA) by combining a precise two-photon resonance with a very short coincidence time. Because of this short coincidence time, broadband TPA is not…