相关论文: Multiple solutions of coupled-cluster equations fo…
Understanding neutron-proton(np) interaction has been one of the most studied problems. One way to construct model interaction has been using inversion potentials obtained from experimental scattering phase shifts(SPS). Here, we show that,…
In this paper, we are concerned with the multiplicity of nontrivial solutions for the following class of complex problems $$ (-i\nabla - A(\mu x))^{2}u= \mu |u|^{q-2}u + |u|^{2^{*}-2}u \ \mbox{in} \ \Omega, \ \ \ \ u \in…
Describing long-ranged electrostatics using short-ranged pair potentials is appealing since the computational complexity scales linearly with the number of particles. The foundation of this approach is to mimic the long-ranged medium…
The (T) and [T] perturbative corrections are derived for multicomponent coupled-cluster theory with single and double excitations (CCSD). Benchmarking shows that multicomponent CCSD methods that include the perturbative corrections are more…
Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…
We have developed a relativistic coupled-cluster theory to incorporate nuclear spin-dependent interaction Hamiltonians perturbatively. This theory is ideal to calculate parity violating nuclear spin-dependent electric dipole transition…
This work deals with the existence of at least two positive solutions for the class of quasilinear elliptic equations with cylindrical singularities and multiple critical nonlinearities that can be written in the form \begin{align*}…
We discuss diagrammatic modifications to the coupled cluster doubles (CCD) equations, wherein different groups of terms out of rings, ladders, crossed-rings and mosaics can be removed to form approximations to the coupled cluster method, of…
Three earlier relativistic coupled-cluster (RCC) calculations of dipole polarizability ($\alpha_d$) of the Cd atom are not in good agreement with the available experimental value of $49.65(1.65) \ e a_0^3$. Among these two are finite-field…
Classical Molecular Dynamics (MD) simulations are employed as a tool to investigate structural properties of ice crystals under several temperature and pressure conditions. All ice crystal phases are analyzed by means of a computational…
We extend previous works on the multiplicity of solutions to the Allen-Cahn system on closed Riemannian manifolds by considering an arbitrary number of phases. Specifically, we show that on parallelizable manifolds, the number of solutions…
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)$_{\overline{\text{F12}}}$) for high-spin states of open-shell species. The approach is…
Multiscale methods for second order elliptic equations based on non-overlapping domain decomposition schemes have great potential to take advantage of multi-core, state-of-the-art parallel computers. These methods typically involve solving…
The most studied continuum percolation model in two dimensions is the Boolean model consisting of disks with the same radius whose centers are randomly distributed on the Poisson point process (PPP). We also consider the Boolean percolation…
While boundary plasmas in present-day tokamaks generally fall in a fluid regime, neutral species near the boundary often require kinetic models due to long mean-free-paths compared to characteristic spatial scales in the region. Monte-Carlo…
We present the Multi-Particle-Collision (MPC) dynamics approach to simulate properties of low-dimensional systems. In particular, we illustrate the method for a simple model: a one-dimensional gas of point particles interacting through…
We use the methods of group theory to reduce the equations of motion of the $CP^{1}$ model in (2+1) dimensions to sets of two coupled ordinary differential equations. We decouple and solve many of these equations in terms of elementary…
We present the exact bright one-soliton and two-soliton solutions of the integrable three coupled nonlinear Schroedinger equations (3-CNLS) by using the Hirota method, and then obtain them for the general $N$-coupled nonlinear Schroedinger…
A wide class of coupled-cluster methods is introduced, based on Arponen's extended coupled-cluster theory. This class of methods is formulated in terms of a coordinate transformation of the cluster operators. The mathematical framework for…
The ionization potential (IP) is an important parameter providing essential insights into the reactivity of chemical systems. IPs are also crucial for designing, optimizing, and understanding the functionality of modern technological…