Related papers: Coupled electron pair-type approximations for tens…
The many-body expansion (MBE) is an efficient tool which has a long history of use for calculating interaction energies, binding energies, lattice energies, and so on. In the past, applications of MBE to correlation energy have been…
A partial-active-space (PAS) multi-state (MS) multi-reference second-order perturbation theory (MRPT2) for the electronic structure of strongly correlated systems of electrons, dubbed PASPT2, is formulated by linearizing the intermediate…
Selected configuration interaction (SCI) methods are currently enjoying a resurgence due to several recent developments which improve either the overall computational efficiency or the compactness of the resulting SCI vector. These recent…
The widespread use of multisensor technology and the emergence of big data sets have brought the necessity to develop more versatile tools to represent higher-order data with multiple aspects and high dimensionality. Data in the form of…
In this article, a numerical analysis of the asymptotic behavior of the discrete energy associated to a dissipative coupled wave system is conducted. The numerical approximation of the system is constructed using the P1 finite element…
First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied…
Power sector capacity expansion models (CEMs) that are used for studying future low-carbon grid scenarios must incorporate detailed representation of grid operations. Often CEMs are formulated to model grid operations over representative…
A method for measuring the pair interaction potential between colloidal particles by extrapolation measurement of collective structure to infinite dilution is presented and explored using simulation and experiment. The method is…
The inherent nonlinearity of the power flow equations poses significant challenges in accurately modeling power systems, particularly when employing linearized approximations. Although power flow linearizations provide computational…
Tensor networks establish an adaptable framework for the emulation of quantum circuits. By partitioning exponentially large registers and gates into smaller tensors, this unlocks fast transformations through tensor algebra, and grants fine…
The random phase approximation (RPA) systematically overestimates the magnitude of the correlation energy and generally underestimates cohesive energies. This originates in part from the complete lack of exchange terms, which would…
Matrix product states (MPS) illustrate the suitability of tensor networks for the description of interacting many-body systems: ground states of gapped $1$-D systems are approximable by MPS as shown by Hastings [J. Stat. Mech. Theor. Exp.,…
Among the interesting outcomes of the study of the physical applications of spectral singularities in PT-symmetric optical systems is the discovery of CPA-lasers. These are devices that act both as a threshold laser and a coherent perfect…
We simulate the coherence of two coupled electron spins interacting with a bath of nuclei using the generalized cluster correlation expansion (gCCE) method. An exchange interaction between the electrons facilitates a family of entangling…
We present a low-scaling algorithm for the random phase approximation (RPA) with \textbf{k}-point sampling in the framework of tensor hypercontraction (THC) for electron repulsion integrals (ERIs). The THC factorization is obtained via a…
We introduce a class of specially structured linear programming (LP) problems, which has favorable modeling capability for important application problems in different areas such as optimal transport, discrete tomography and economics. To…
Using the finite simulation-cell homogeneous electron gas (HEG) as a model, we investigate the convergence of the correlation energy to the complete basis set (CBS) limit in methods utilising plane-wave wavefunction expansions. Simple…
Motivated by the recent introduction of an integrable coupled massive Thirring model by Basu-Mallick et al, we introduce a new coupled Soler model. Further we generalize both the coupled massive Thirring and the coupled Soler model to…
The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD)…
A method to simulate local properties and processes in crystals with impurities via constructing cluster models within the frame of the compound-tunable embedding potential (CTEP) and highly-accurate {\it ab initio} relativistic…