相关论文: Richardson-Gaudin Configuration-Interaction for nu…
This paper is concerned with the partitioned iterative formulation to simulate the fluid-structure interaction of a nonlinear multibody system in an incompressible turbulent flow. The proposed formulation relies on a three-dimensional (3D)…
We have combined our adaptive configuration interaction (ACI) [J.B. Schriber and F.A. Evangelista, J. Chem. Phys. 144, 161106 (2016)] with a density-fitted implementation of the second-order perturbative multireference driven similarity…
Simulation of contact and friction dynamics is an important basis for control- and learning-based algorithms. However, the numerical difficulties of contact interactions pose a challenge for robust and efficient simulators. A…
We present a multi-reference configuration mixing scheme for describing ground and excited states, with well defined spin and space group symmetry quantum numbers, of the one-dimensional Hubbard model with nearest-neighbor hopping and…
We propose a new quantum simulation method for simulating N-body interactions, which are tensor products of N Pauli operators, in an analytically exact manner. This method iteratively attaches many two-body interactions on one two-body…
Recent work has shown that a fully many-body treatment of noncovalent interactions, such as that given by the method of many-body dispersion (MBD), is vital to accurately modeling the structure and energetics of many molecular systems with…
A ubiquitous problem in quantum physics is to understand the ground-state properties of many-body systems. Confronted with the fact that exact diagonalisation quickly becomes impossible when increasing the system size, variational…
We demonstrate the efficiency of a recent exact-gradient optimal control methodology by applying it to a challenging many-body problem, crossing the superfluid to Mott-insulator phase transition in the Bose-Hubbard model. The system size…
Pairing correlations in the even-even A=102-130 Sn isotopes are discussed, based on the Richardson-Gaudin variables in an exact Woods-Saxon plus reduced BCS pairing framework. The integrability of the model sheds light on the pairing…
We present the concept, derivation, and implementation of dynamical configuration interaction, a quantum embedding theory that combines Green's function methodology with the many-body wave function. In a strongly-correlated active space, we…
In spite of missing dynamical correlations, the projected generator coordinate method (PGCM) was recently shown to be a suitable method to tackle the low-lying spectroscopy of complex nuclei. Still, describing absolute binding energies and…
Many-body correlations characterizing the Constrained Molecular Dynamics (CoMD)are analyzed in the case of finite and zero range effective microscopic interactions. The study begins by analyzing the case of infinite nuclear matter at zero…
A deep-learning approach to optimize the selection of Slater determinants in configuration interaction calculations for condensed-matter quantum many-body systems is developed. We exemplify our algorithm on the discrete version of the…
Nonorthogonal multireference methods can predict statically correlated adiabatic energies while providing chemical insight through the combination of diabatic reference states. However, reaching quantitative accuracy using nonorthogonal…
Quantum few-body systems are deceptively simple. Indeed, with the notable exception of a few special cases, their associated Schrodinger equation cannot be solved analytically for more than two particles. One has to resort to approximation…
Earth system models are complex integrated models of atmosphere, ocean, sea ice, and land surface. Coupling the components can be a significant challenge due to the difference in physics, temporal, and spatial scales. This study explores…
We derive a microscopic relativistic point-coupling model of nuclear many-body dynamics constrained by in-medium QCD sum rules and chiral symmetry. The effective Lagrangian is characterized by density dependent coupling strengths,…
We develop a framework that allows to calculate integrated properties of the nuclear response from first principles. Using the ab initio in-medium similarity renormalization group (IMSRG), we calculate the expectation values of moment…
Ultracold atomic physics offers myriad possibilities to study strongly correlated many-body systems in lower dimensions. Typically, only ground state phases are accessible. Using a tunable quantum gas of bosonic cesium atoms, we realize and…
Richardson equations can be mapped on the classical electrostatic problem in two dimensions. We have recently suggested a new analytical approach to these equations in the thermodynamical limit, which is based on the `probability' of the…