相关论文: Multiple solutions of coupled-cluster equations fo…
Multiproposal MCMC (MP-MCMC) algorithms use clouds of proposals to efficiently traverse state spaces and overcome complex target geometries. While MCMC methods are embarrassingly parallel by nature, the non-trivial forms of parallelism…
We propose algorithms for solving high-dimensional Partial Differential Equations (PDEs) that combine a probabilistic interpretation of PDEs, through Feynman-Kac representation, with sparse interpolation. Monte-Carlo methods and…
We study the charging dynamics of a long electrolyte-filled slit pore in response to a suddenly applied potential. In particular, we analytically solve the Poisson-Nernst-Planck (PNP) equations for a pore for which $\lambda_D\ll H\ll L$,…
A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…
The iteration dynamics of the coupled cluster equations exhibits a synergistic relationship among the cluster amplitudes. The iteration scheme may be viewed as a multivariate discrete-time propagation of nonlinearly coupled equations, which…
We introduce a novel class of coupled cluster (CC) methods that leverage the seniority concept to enhance efficiency and accuracy in electronic structure calculations. While existing approaches, such as the pair coupled cluster doubles…
An improved numerical solver for the unified solution of compressible and incompressible fluids involving interfaces is proposed. The present method is based on the CIP-CUP (Cubic Interpolated Propagation / Combined, Unified Procedure)…
In the paper we prove existence of solutions for a Schr\"odinger-Bopp-Podolsky system under positive potentials. We use the Ljusternick-Schnirelmann and Morse Theories to get multiple solutions with a priori given ``interaction energy''.
Multiparticle collision dynamics (MPCD) enables to simulate fluid dynamics including both hydrodynamics and thermal fluctuations. Its main use concerns complex fluids, where the solvent interacts with concentrated solutes, may they be…
Three fully variational formulations of the complete-active space coupled-cluster (CASCC) method are derived. The formulations include the ability to approximate the model vectors by smooth manifolds, thereby opening up the possibility for…
A multiple exp-function method to exact multiple wave solutions of nonlinear partial differential equations is proposed. The method is oriented towards ease of use and capability of computer algebra systems, and provides a direct and…
Numerous numerical studies have shown that geminal-based methods are a promising direction to model strongly correlated systems with low computational costs. Several strategies have been introduced to capture the missing dynamical…
We investigate the structure of nodal solutions for coupled nonlinear Schr\"{o}dinger equations in the repulsive coupling regime. Among other results, for the following coupled system of $N$ equations, we prove the existence of infinitely…
We establish the existence of multi-bump solutions for the following class of quasilinear problems $$ - \Delta_{ p(x) } u + \big( \lambda V(x) + Z(x) \big) u ^{ p(x)-1 } = f(x,u) \text{ in } \mathbb R^N, \, u \ge 0 \text{ in } \mathbb R^N,…
We study a solution of long polyanions (PA) with shorter polycations (PC) and focus on the role of Coulomb interaction. A good example is solutions of DNA and PC which are widely studied for gene therapy. In the solution, each PA attracts…
Within the model of topological particles (MTP) we determine the interaction energy of monopole pairs, sources and sinks of a Coulombic field. The monopoles are represented by topological solitons of finite size and mass, described by a…
We consider a large N, two-family Calogero and matrix model in the Hamiltonian, collective-field approach. The Bogomol'nyi limit appears and the solutions to the coupled Bogomol'nyi-Prasad-Sommerfeld equations are given by the static…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
The analytic gradient theory for both iterative and non-iterative coupled-cluster approximations that include connected quadruple excitations is presented. These methods include, in particular, CCSDT(Q), which is an analog of the well-known…
In this paper, we prove the existence of multiple solutions for a nonlinear nonlocal elliptic PDE involving a singularity which is given as \begin{eqnarray} (-\Delta_p)^s u&=& \frac{\lambda}{u^\gamma}+u^q~\text{in}~\Omega,\nonumber…