Related papers: M\=oLe-{\Lambda}: Learning the Coupled-Cluster Res…
We investigate structure of $^{13}_\Lambda{\rm C}$ and discuss the difference and similarity between the structures of $^{12}{\rm C}$ and $^{13}_\Lambda{\rm C}$ by answering the questions if the linear-chain and gaslike cluster states,…
The $\Lambda$CDM model of structure formation makes strong predictions on concentration and shape of DM (dark matter) halos, which are determined by mass accretion processes. Comparison between predicted shapes and observations provides a…
The problem of orbital relaxation in computational core-hole spectroscopies, including x-ray absorption and x-ray photoionization, has long plagued linear response approaches, including equation-of-motion coupled cluster with singles and…
We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals and cluster amplitudes are optimized for an individual excited state. The theory is formulated via a pseudoprojection of the traditional…
Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…
We generalize the coupled-cluster (CC) approach with singles, doubles, and the non-iterative treatment of triples termed $\Lambda$CCSD(T) to Hamiltonians containing three-body interactions. The resulting method and the underlying CC…
For nearly the past 30 years, Centroid Molecular Dynamics (CMD) has proven to be a viable classical-like phase space formulation for the calculation of quantum dynamical properties. However, calculation of the centroid effective force…
The quark-meson coupling (QMC) model, which has been successfully used to describe the properties of both finite nuclei and infinite nuclear matter, is applied to a study of $\Lambda$ hypernuclei. With the assumption that the…
We introduce a unitary coupled-cluster (UCC) ansatz termed $k$-UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and systematically improvable unitary coupled-cluster wavefunction…
We derive the coupled-cluster doubles (CCD) amplitude equations by introduction of the particle-hole-time decoupled electronic self-energy. The resulting analysis leads to an expression for the ground state correlation energy that is…
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…
Masked diffusion language models (MDLMs) enable parallel decoding by predicting all masked positions at each denoising step, yet existing training-free samplers usually decide which positions to commit at token-level granularity. We revisit…
The hypernucleus $\nuclide[6][\Lambda\Lambda]{He}$ is studied as a three-body ($\Lambda\Lambda\alpha$) cluster system in cluster effective field theory at leading order. We find that the three-body contact interaction exhibits the limit…
We apply the coupled cluster method (CCM) in order to study the ground-state properties of the (unfrustrated) square-lattice and (frustrated) triangular-lattice spin-half Heisenberg antiferromagnets in the presence of external magnetic…
The Coupled Cluster (CC) and full CI expansions are studied for three fermions with six and seven modes. Surprisingly the CC expansion is tailor made to characterize the usual SLOCC entanglement classes. It means that the notion of a SLOCC…
We scrutinize the performance of different variants of equation of motion coupled cluster (EOM-CC) methods to predict electronic excitation energies and excited state potential energy surfaces in closed-shell actinide species. We focus our…
We present the development and implementation of the relativistic coupled cluster linear response theory (CC-LR) which allows the determination of molecular properties arising from time-dependent or time-independent electric, magnetic, or…
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…
A novel technique using machine learning (ML) to reduce the computational cost of evaluating lattice quantum chromodynamics (QCD) observables is presented. The ML is trained on a subset of background gauge field configurations, called the…
We discuss the determination of the strong coupling $\alpha_\mathrm{\overline{MS}}^{}(m_\mathrm{Z})$ or equivalently the QCD $\Lambda$-parameter. Its determination requires the use of perturbation theory in $\alpha_s(\mu)$ in some scheme,…