Related papers: Time-dependent orbital-optimized coupled-cluster m…
The performance of time-independent, orbital optimized calculations of excited states is assessed with respect to charge transfer excitations in organic molecules in comparison to the linear-response time-dependent density functional theory…
Out-of-Time Ordered Correlators (OTOCs) are widely used to investigate information scrambling in quantum systems. However, directly computing OTOCs with classical computers is an expensive procedure. This is due to the need to classically…
The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…
This study proposes a new distributed control method based on an adaptive fuzzy control for multiple collaborative autonomous underwater vehicles (AUVs) to track a desired formation shape within a fixed time. First, a formation control…
We develop a time-dependent variational Monte Carlo (t-VMC) method for quantum dynamics of strongly correlated electrons. The t-VMC method has been recently applied to bosonic systems and quantum spin systems. Here, we propose a…
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…
An implementation of the generalized time-dependent generator coordinated method (TD-GCM) is developed, that can be applied to the dynamics of small- and large-amplitude collective motion of atomic nuclei. Both the generator states and…
TianQin is a dedicated geocentric mission for space-based gravitational wave (GW) detection. Among its core technologies, the drag-free and pointing control subsystem (DFPCS) - consisting of suspension, drag-free and pointing controls -…
In this work we present a derivation of the real-time time-dependent orbital-optimized M{\o}ller-Plesser TDOMP2 and its biorthogonal companion, time-dependent non-orthogonal OMP2 (TDNOMP2), theory starting from the time-dependent…
We investigate the quantum entanglement of systems of coupled harmonic oscillators on the basis of thermo-field dynamics (TFD). For coupled harmonic oscillators at equilibrium, the extended entanglement entropy is derived using the TFD…
We present a diagrammatic formulation of a theory for the time dependence of density fluctuations in equilibrium systems of interacting Brownian particles. To facilitate derivation of the diagrammatic expansion we introduce a basis that…
In this paper we study the problem of designing periodic orbits for a special class of hybrid systems, namely mechanical systems with underactuated continuous dynamics and impulse events. We approach the problem by means of optimal control.…
In this work, we develop a new orbital optimization approach, perturbative Super-CI (Super-CIPT), for the two-component complete active space self-consistent field (2C-CASSCF) method. By variationally optimizing spinor orbitals and…
The Emery model, or three-band Hubbard model, is a Hamiltonian that is thought to contain much of the physics of cuprate superconductors. This model includes two noninteracting $p$ orbitals and one interacting $d$ orbital per unit cell. Few…
In this paper, we consider the problem of periodic optimal control of nonlinear systems subject to online changing and periodically time-varying economic performance measures using model predictive control (MPC). The proposed economic MPC…
An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing…
Fermionic Molecular Dynamics (FMD) models a system of fermions by means of many-body states which are composed of antisymmetrized products of single-particle states. These consist of one or several Gaussians localized in coordinate and…
The dual fermion method is a multiscale approach for solving lattice problems of interacting strongly correlated systems. In this paper, we present the \texttt{opendf} code, an open-source implementation of the dual fermion method…
Periodic operation often emerges as the economically optimal mode in industrial processes, particularly under varying economic or environmental conditions. This paper proposes a robust model predictive control (MPC) framework for uncertain…
An iterative orbital interaction (iOI) approach is proposed to solve, in a bottom-up fashion, the self-consistent field problem in quantum chemistry. While it belongs grossly to the family of fragment-based quantum chemical methods, iOI is…