Related papers: Restricted Open-shell cluster Mean-Field theory fo…
We present a relativistic chiral mean field (RCMF) model, which is a method for the proper treatment of pion-exchange interaction in the nuclear many-body problem. There the dominant term of the pionic correlation is expressed in…
We propose a new segmentation model combining common regularization energies, e.g. Markov Random Field (MRF) potentials, and standard pairwise clustering criteria like Normalized Cut (NC), average association (AA), etc. These clustering and…
We present a microscopic description of cluster emission processes within the Cluster--Hartree--Fock (CHF) self--consistent field (SCF) theory. The starting point is a Woods--Saxon (WS) mean field (MF) with spin--orbit and Coulomb terms.…
Clustering is an effective technique in data mining to group a set of objects in terms of some attributes. Among various clustering approaches, the family of K-Means algorithms gains popularity due to simplicity and efficiency. However,…
Many chemical systems cannot be described by quantum chemistry methods based on a singlereference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important…
Matched asymptotic expansion is a useful technique in General Relativity and other fields whenever interaction takes place between physics at two different length scales. Here matched asymptotic expansion is argued to be equivalent quite…
We employ the closed-shell perturbed relativistic coupled-cluster (RCC) theory developed by us earlier [Phys. Rev. A {\bf 77}, 062516 (2008)] to evaluate the ground state static electric dipole polarizabilities (\alpha s) of several atomic…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
A simple ``brute-force'' parallelisation procedure for the computational implementation of high-order coupled cluster method (CCM) calculations is presented here. This approach is investigated and illustrated by an application of high-order…
In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unrestricted Hartree-Fock (SUHF), on the other hand, misses weak…
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…
While CCSD(T) with spin-restricted Hartree-Fock (RHF) orbitals has long been lauded for its ability to accurately describe closed-shell interactions, the performance of CCSD(T) on open-shell species is much more erratic, especially when…
We present 3-D MHD and synthetic numerical simulations to follow the evolution of randomly magnetized intra-cluster medium plasma under the effects of powerful, light, hypersonic and bipolar jets. We prescribe the cluster magnetic field…
The extension of least-squares tensor hypercontracted second- and third-order M{\o}ller-Plessett perturbation theory (LS-THC-MP2 and LS-THC-MP3) to open-shell systems is an important development due to the scaling reduction afforded by THC…
In a recent work [D. Malpetti and T. Roscilde, arXiv:1605.04223] we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part, and a quantum part -- and that…
Coronal holes (CHs) are regions with unbalanced magnetic flux, and have been associated with open magnetic field (OMF) structures. However, it has been reported that some CHs do not intersect with OMF regions. To investigate the…
We formulate a quantum embedding algorithm in real-space for the simultaneous theoretical treatment of nonlocal electronic correlations and disorder, the coherent cellular dynamical mean-field theory (C-CDMFT). This algorithm combines the…
We study the quenched disordered magnetic system, which is obtained from the 2D SO(3) quantum Heisenberg model, on a square lattice, with nearest neighbors interaction, by taking a Gaussian random distribution of couplings centered in an…
Building on work by Florens and Georges, we formulate and study a self-consistent slave rotor mean field theory for strongly correlated systems. This approach views the electron, in the strong correlation regime, as a composite of a neutral…
We present a spin-free, size-extensive, and size-consistent coupled cluster method based on a generalised normal ordered exponential ansatz. This approach is a natural generalisation of single-reference coupled cluster theory for arbitrary…