Related papers: Describing Strong Correlation with Block-Correlate…
In order to determine the ratio of CKM matrix elements |V_{ub}/V_{cb}| (and |V_{ub}|), we propose a new model-independent method based on the heavy quark effective theory, which is theoretically described by the phase space factor and the…
A compact yet accurate approach for representing the wave functions of members of the He and Li isoelectronic series is using explicitly correlated wave functions. These wave functions, however, often have nonlinear forms, which make them…
We propose a new variational Monte Carlo (VMC) method with an energy variance extrapolation for large-scale shell-model calculations. This variational Monte Carlo is a stochastic optimization method with a projected correlated condensed…
The exponential scaling of complete active space (CAS) and full configuration interaction (CI) calculations limits the ability of quantum chemists to simulate the electronic structures of strongly correlated systems. Herein, we present…
The reformulated coupled-cluster method (CCM), in which average many-body potentials are introduced, provides a useful framework to organize numerous terms appearing in CCM equations, which enables us to clarify the structure of the CCM…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
We present a scalable implementation of the $GW$ approximation using Gaussian atomic orbitals to study the valence and core ionization spectroscopies of molecules. The implementation of the standard spectral decomposition approach to the…
The block coordinate descent (BCD) method is widely used for minimizing a continuous function f of several block variables. At each iteration of this method, a single block of variables is optimized, while the remaining variables are held…
Data-driven modeling plays an increasingly important role in different areas of engineering. For most of existing methods, such as genetic programming (GP), the convergence speed might be too slow for large scale problems with a large…
A linked cluster expansion for the calculation of ground state observables of nuclei with realistic interactions has been developed. Using the V8' potential the ground state energy, density and momentum distribution of complex nuclei have…
We examine Gaussian-basis Monte Carlo method (GBMC) introduced by Corney and Drummond. This method is based on an expansion of the density-matrix operator rho by means of the coherent Gaussian-type operator basis Lambda and does not suffer…
Superconductivity is usually described in the framework of the Bardeen-Cooper-Schrieffer (BCS) wavefunction, which even includes the resonating-valence-bond (RVB) wavefunction proposed for the high-temperature superconductivity in the…
We employ correlation-consistent effective core potentials (ccECPs) to perform exact or nearly exact correlation and total energy calculations for the fifth-row elements (Rb-Xe). Total energies are calculated using various correlated…
A wide class of coupled-cluster methods is introduced, based on Arponen's extended coupled-cluster theory. This class of methods is formulated in terms of a coordinate transformation of the cluster operators. The mathematical framework for…
We present the first successful application of the coupled cluster approach to simulate the X-ray absorption (XA) spectrum of liquid water. The system size limitations of standard coupled cluster theory are overcome by employing a newly…
We use the functional integral approach to study low energy collective excitations in a continuum model of neutral two-band superfluids at T=0 for all couplings with a separable pairing interaction. In the long wavelength and low frequency…
We use the variational cluster approximation to study the superconducting ground state in the two-dimensional attractive Hubbard model, putting particular emphasis on the significance of quantum fluctuations of the system. We first show…
We study here the semi-supervised $k$-clustering problem where information is available on whether pairs of objects are in the same or in different clusters. This information is either available with certainty or with a limited level of…
We discuss diagrammatic modifications to the coupled cluster doubles (CCD) equations, wherein different groups of terms out of rings, ladders, crossed-rings and mosaics can be removed to form approximations to the coupled cluster method, of…
Experiments using intermediate- to high-energy radioactive nuclear beams present numerous findings. Extracting important properties of physical observables relies on a firm theoretical analysis. Though Glauber theory is believed to work…