Related papers: Exploring Biorthonormal Transformations of Pair-Co…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
The two-point correlation function (2PCF) is the most widely used tool for quantifying the spatial distribution of galaxies. Since the distribution of galaxies is determined by galaxy formation physics as well as the underlying cosmology,…
Numerical simulation on nuclear collisions are performed using the canonical-basis time-dependent Hartree-Fock-Bogoliubov theory (Cb-TDHFB) in the three-dimensional coordinate space. Comparing results of the Cb-TDHFB and the conventional…
We introduce a multireference selected quantum Krylov (MRSQK) algorithm suitable for quantum simulation of many-body problems. MRSQK is a low-cost alternative to the quantum phase estimation algorithm that generates a target state as a…
An analytic gradient approach for the computation of derivatives of parity-violating (PV) potentials with respect to displacements of the nuclei in chiral molecules is described and implemented within a quasirelativistic mean-field…
We propose a recursive algorithm for the calculation of multi-baryon correlation functions that combines the advantages of a recursive approach with those of the recently proposed unified contraction algorithm. The independent components of…
We report the first global study of dynamic correlation energies (DCEs) associated with rotational motion and quadrupole shape vibrational motion in a covariant energy density functional (CEDF) for 575 even-even nuclei with proton numbers…
Investigation of P,T-parity nonconservation (PNC) phenomena is of fundamental importance for physics. Experiments to search for PNC effects have been performed on TlF and YbF molecules and are in progress for PbO and PbF molecules. For…
Space-time multivectors in Clifford algebra (space-time algebra) and their application to nonlinear electrodynamics are considered. Functional product and infinitesimal operators for translation and rotation groups are introduced, where…
The cost of simulating quantum many-body systems - on classical or quantum hardware - scales with the number of variational parameters, so progress at fixed computational budget hinges on more parameter-efficient ans\"atze. Configuration…
A set of moderately deformed $s-d$ shell nuclei is employed for testing the reliability of the nuclear ground state wave functions which are obtained in the context of a BCS approach and offer a simultaneous consideration of deformation and…
The rich variety of iron-based superconductors and their complex electronic structure lead to a wide range of possibilities for gap symmetry and pairing components. Here we solve in the 2-Fe Brillouin zone the full frequency-dependent…
We show that a simple correlated wave function, obtained by applying a Jastrow correlation term to an Antisymmetrized Geminal Power (AGP), based upon singlet pairs between electrons, is particularly suited for describing the electronic…
The ground state of atoms from H to Ar was calculated using a self-interaction correction to local and gradient dependent density functionals. The correction can significantly improve the total energy and makes the orbital energies…
Weighted correlation functions are an increasingly important tool for understanding how galaxy properties depend on their separation from each other. We use a mock galaxy sample drawn from the Millenium simulation, assigning weights using a…
Low-scaling electron correlation theory based on the pair natural orbital approximation, PNO-CCSD(T), has become a powerful computational tool. Motivated by the recent discovery of large errors for organometallic molecules, we assess the…
The investigation of the static and dynamic structural properties of colloidal systems relies on techniques capable of atomic resolution in real space and femtosecond resolution in time. Recently, the cross-correlation function (CCF)…
Although one-loop calculations provide a realistic description of bulk and single-particle nuclear properties, it is necessary to examine loop corrections to develop a systematic finite-density power-counting scheme for the nuclear…
We extend multireference covariant density-functional theory (MR-CDFT) based on a relativistic point-coupling energy functional to describe the low-lying states of odd-mass nuclei. The nuclear wave function is constructed as a superposition…
Pairing effects manifests themselves in many aspects in nuclear systems ranging from finite nuclei to nuclear matter and compact stars. Although with some specific features for nuclear systems, the mechanism of pairing between nucleons in…