相关论文: Practicable factorized TDLDA for arbitrary density…

We have studied the dynamics of a particle in a periodically driven underdamped periodic potential. Recent studies have reported the occurrence of Stochastic Resonance (SR) in such systems in the high frequency regime, using input energy…

Kohn-Sham density functional theory (DFT) is the standard method for first-principles calculations in computational chemistry and materials science. More accurate theories such as the random-phase approximation (RPA) are limited in…

Superfluidity is a generic feature of various quantum systems at low temperatures and it is in particular important for the description of dynamics of low energy nuclear reactions. The time-dependent density functional theory (TDDFT) is, to…

A self-consistent random phase approximation (RPA) is proposed as an effective Hamiltonian method in Light-Front Field Theory (LFFT). We apply the general idea to the light-front massive Schwinger model to obtain a new bound state equation…

The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…

We present a derivation of a recently proposed theory for the time dependence of density fluctuations in stationary states of strongly interacting, athermal, self-propelled particles. The derivation consists of two steps. First, we start…

We present a unitary framework for dissipative quantum dynamics that can be efficiently applied to large-scale Fermi systems. The method introduces local Hermitian operators that emulate frictional forces while strictly preserving the…

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…

Regularized variants of Principal Components Analysis, especially Sparse PCA and Functional PCA, are among the most useful tools for the analysis of complex high-dimensional data. Many examples of massive data, have both sparse and…

Estimating the rate of rare conformational changes in molecular systems is one of the goals of Molecular Dynamics simulations. In the past decades, a lot of progress has been done in data-based approaches towards this problem. In contrast,…

Biologically functional liquid-liquid phase separation of intrinsically disordered proteins (IDPs) is driven by interactions encoded by their amino acid sequences. Little is currently known about the molecular recognition mechanisms for…

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…

Deterministic models for radiation transport describe the density of radiation particles moving through a background material. In radiation therapy applications, the phase space of this density is composed of energy, spatial position and…

We generalize the concept of conserving, Phi-derivable, approximations to relativistic field theories. Treating the interaction field as a dynamical degree of freedom, we derive the thermodynamic potential in terms of fully dressed…

The fully self-consistent Random Phase Approximation (RPA) is constructed within the Unitary Correlation Operator Method (UCOM), which describes the dominant interaction-induced short-range central and tensor correlations by a unitary…

We generalize the concept of conserving,\Phi-derivable, approximations to relativistic field theories. Treating the interaction field as a dynamical degree of freedom, we derive the thermodynamical potential in terms of fully dressed…

Time-Dependent Density Functional Theory is mathematically formulated through non-linear coupled time-dependent 3-dimensional partial differential equations and it is natural to expect a strong sensitivity of its solutions to variations of…

We have calculated the strength distributions of the dipole response in spherical nuclei, ranging all over the periodic table. The calculations were performed within two microscopic models: the discretized quasiparticle random phase…

We discuss properties of the method based on time dependent superfluid local density approximation (TDSLDA) within an application to induced fission of 240Pu and surrounding nuclei. Various issues related to accuracy of time evolution and…

We use the Random Phase Approximation (RPA) to compute the structure factor, S(q), of a solution of chains interacting through a soft and short range repulsive potential V. Above a threshold polymer concentration, whose magnitude is…