相关论文: Relativistic Cholesky-decomposed density matrix MP…

We present the expansion to the expectation value coupled cluster theory (XCC) to the wavefunctions that include the inter electronic distances $r_{12}$ explicitly. We have extended our algebraic manipulation code \paldus to deal with the…

We report a complete implementation of the coupled-cluster method with single, double, and triple excitations (CCSDT) where tensor decompositions are used to reduce its scaling and overall computational costs. For the decomposition of the…

A new algorithm to approximate Hermitian matrices by positive semidefinite Hermitian matrices based on modified Cholesky decompositions is presented. In contrast to existing algorithms, this algorithm allows to specify bounds on the…

The exchange and correlation $E_{xc}$ of strongly correlated electrons in 2D layers of finite width are studied as a function of the density parameter $r_s$, spin-polarization $\zeta$ and the temperature $T$. We explicitly treat…

We incorporate a canonical polyadic decomposition (CPD) based low-level solver as a means to accelerate the environment-level solver for the recently developed MPCC embedding framework. Using CPD, we both factorize the three dominant…

Variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions are used to study the spin-polarized three-dimensional uniform electron fluid. We report ground state VMC and DMC energies…

The relativistic two-body potentials of constraint theory for systems composed of two spin-0 or two spin-1/2 particles are calculated, in perturbation theory, by means of the Lippmann-Schwinger type equation that relates them to the…

Maximum Distance Profile (MDP) convolutional codes are an important class of channel codes due to their maximal delay-constrained error correction capabilities. The design of MDP codes has attracted significant attention from the research…

L-edge X-ray absorption spectra for first-row transition metal complexes are obtained from relativistic equation-of-motion singles and doubles coupled-cluster (EOM-CCSD) calculations that make use of the core-valence separation (CVS)…

We compute the helicity density matrix of $\rho$ vector mesons produced in the two-body decays of $\chi_{c2}$'s in the framework of perturbative QCD, allowing for mass corrections. The $\chi_{c2}$'s are inclusively produced in hadronic…

We extend the range-separated double-hybrid RSH+MP2 method [J. G. Angyan et al., Phys. Rev. A 72, 012510 (2005)], combining long-range HF exchange and MP2 correlation with a short-range density functional, to a fully self-consistent version…

We investigate the Dark Scattering (DS) interacting dark energy scenario, characterised by pure momentum exchange between dark matter and dark energy, combined with a time-dependent equation-of-state for dark energy described by the…

Inspired by the first-order method of Malitsky and Pock, we propose a new variational framework for compressed MR image reconstruction which introduces the application of a rotation-invariant discretization of total variation functional…

We present a Bayesian analysis of cosmological parameter constraints from early- and late-universe observations, focusing on the matter density parameter ($\Omega_m$) and the amplitude of matter fluctuations ($\sigma_8$) within the…

We present an efficient algorithm for calculating spectral properties of large sparse Hamiltonian matrices such as densities of states and spectral functions. The combination of Chebyshev recursion and maximum entropy achieves high energy…

The quasistatic limit of the antiplane shear-wave speed ('effective speed') $c$ in 2D periodic lattices is studied. Two new closed-form estimates of $c$ are derived by employing two different analytical approaches. The first proceeds from a…

The cranked relativistic Hartree+Bogoliubov theory has been applied for a systematic study of the nuclei around 254No, the heaviest elements for which detailed spectroscopic data are available. The deformation, rotational response, pairing…

The density matrix renormalization group (DMRG) has become an indispensable numerical tool to find exact eigenstates of finite-size quantum systems with strong correlation. In the fields of condensed matter, nuclear structure and molecular…

The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid…

We consider the problem of writing an arbitrary symmetric matrix as the difference of two positive semidefinite matrices. We start with simple ideas such as eigenvalue decomposition. Then, we develop a simple adaptation of the Cholesky that…