相关论文: From closed shells to open shells: Coupled-cluster…
We reconsider the applicability of classical nucleation theory (CNT) to the calculation of the free energy of solid cluster formation in a liquid and its use to the evaluation of interface free energies from nucleation barriers. Using two…
Coupled cluster theory produced arguably the most widely used high-accuracy computational quantum chemistry methods. Despite the approach's overall great computational success, its mathematical understanding is so far limited to results…
In this review, we present a symmetry-guided strategy that utilizes exact as well as partial symmetries for enabling a deeper understanding of and advancing ab initio studies for determining the microscopic structure of atomic nuclei. These…
We have studied electron correlations in the doped two-dimensional (2D) Hubbard model by using the coupled-cluster method (CCM) to investigate whether or not the method can be applied to correct the independent particle approximations…
We elaborate on a new technique for computing properties of nucleon-nucleon interactions in terms of an effective field theory derived from low energy NN scattering data. Details of how the expansion is carried out to higher orders are…
We present a novel scheme for nuclear structure calculations based on realistic nucleon-nucleon potentials. The essential ingredient is the explicit treatment of the dominant interaction-induced correlations by means of the Unitary…
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…
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This…
In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…
A review is presented of the development and current status of nuclear shell-model calculations in which the two-body effective interaction is derived from the free nucleon-nucleon potential. The significant progress made in this field…
Methods which aim at universal applicability must be able to describe both weak and strong electronic correlation with equal facility. Such methods are in short supply. The combination of symmetry projection for strong correlation and…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
Characterizing the correlated behavior of nucleons inside atomic nuclei constitutes a long-standing challenge, both experimentally and theoretically. It has recently been understood that two-particle correlations in the azimuthal…
For a better understanding of the dynamics of exotic nuclei it is of crucial importance to develop a practical microscopic theory easy to be applied to a wide range of masses. Theoretically the basic task consists in formulating an easy…
The relation of the shell, collective and cluster models of the atomic nuclei is discussed from the viewpoint of symmetries. In the fifties the U(3) symmetry was found as their common part for a single shell problem. For multi major-shell…
The computational cost required to calculate nuclear correlation functions grows factorially in the number of quarks, making the study of large nuclei inaccessible to ab initio study using lattice QCD at the present time. However, the…
Clustering plays an important role in the structure of nuclei, especially for light nuclei in the $p$-shell. In nuclear cluster models these degrees of freedom are introduced explicitly. In the Resonating Group Method or in the Generator…
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)$_{\overline{\text{F12}}}$) for high-spin states of open-shell species. The approach is…
Atomic nuclei are complex strongly interacting systems and their exact theoretical description is a long-standing challenge. An approximate description of nuclei can be achieved by separating its short and long range structure. This…
A major goal of nuclear theory is to explain the spectra and stability of nuclei in terms of effective many-body interactions amongst the nucleus' constituents-the nucleons, i.e., protons and neutrons. Such an approach, referred to below as…