Related papers: Conservation laws in coupled cluster dynamics at f…
Motivated by the work of P.L. Lions and J-C. Rochet [12], concerning multi-time Hamilton-Jacobi equations, we introduce the theory of multi-time systems of conservation laws. We show the existence and uniqueness of solution to the Cauchy…
The curse of dimensionality (COD) limits the current state-of-the-art {\it ab initio} propagation methods for non-relativistic quantum mechanics to relatively few particles. For stationary structure calculations, the coupled-cluster (CC)…
Thermofield dynamics has proven to be a very useful theory in high-energy physics, particularly since it permits the treatment of both time- and temperature-dependence on an equal footing. We here show that it also has an excellent…
In this paper, an implicit nonsymplectic exact energy-preserving integrator is specifically designed for a ten-dimensional phase-space conservative Hamiltonian system with five degrees of freedom. It is based on a suitable…
Using numerical simulations, we study the non-equilibrium coarsening dynamics of a binary solvent around spherical colloids in the presence of a temperature gradient. The coarsening dynamics following a temperature quench is studied by…
We introduce time-dependent variational principles to study the non-unitary dynamics of open quantum many-body systems, including dynamics described by the full Lindblad master equation, the non-Hermitian dynamics corresponding to the…
In this work we present a coupled-cluster theory for the propagation of multireference electronic systems initiating at general quantum mechanical states. Our formalism is based on the infinitesimal analysis of modified cluster operators,…
The simulation of strongly correlated electron systems remains a formidable challenge. Certain experimentally relevant dynamical response functions are especially difficult to calculate, due to issues of finite-size effects and the ill…
The invariance of the Lagrangian under time translations and rotations in Kepler's problem yields the conservation laws related to the energy and angular momentum. Noether's theorem reveals that these same symmetries furnish generalized…
Effective Hamiltonians, when used in tandem with statistical mechanics techniques, offer a rigorous connection between 0 Kelvin ab-initio predictions and finite temperature experimental observations. For alloys, cluster expansion…
The cluster perturbation theory (CPT) is one of the simplest but systematic quantum cluster approaches to lattice models of strongly correlated electrons with local interactions. By treating the inter-cluster potential, in addition to the…
Several useful thermodynamic relations are derived for metal-insulator transitions, as generalizations of the Clausius-Clapeyron and Eherenfest theorems. These relations hold in any spatial dimensions and at any temperatures. First, they…
In this paper we model pedestrian flows evacuating a narrow corridor through an exit by a one-dimensional hyperbolic conservation law with a non-local constraint. Existence and stability results for the Cauchy problem with Lipschitz…
Application of the time-dependent variational principle to a linear combination of frozen-width Gaussians describing the nuclear wavefunction provides a formalism where the total energy is conserved. The computational downside of this…
Motivated by the recent report of broken time-reversal symmetry and zero momentum magnetic scattering in underdoped cuprates, we investigate under which circumstances orbital currents circulating inside a unit cell might be stabilized in…
Wave functions based on electron-pair states provide inexpensive and reliable models to describe quantum many-body problems containing strongly-correlated electrons, given that broken-pair states have been appropriately accounted for by,…
We revisit a theory of heat transport in the light of a gauge theory of gravity and find the proper heat current with a corresponding gauge field, which yields the natural definitions of the heat magnetization and the Kubo-formula…
We prove existence and uniqueness results for the time-dependent Hartree approximation arising in quantum dynamics. The Hartree equations of motion form a coupled system of nonlinear Schr{\"o}dinger equations for the evolution of product…
Active control of quantum systems enables diverse applications ranging from quantum computation to manipulation of molecular processes. Maximum speeds and related bounds have been identified from uncertainty principles and related…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…