Related papers: Tracking excited states in wave function optimizat…
We propose enhancing trajectory optimization methods through the incorporation of two key ideas: variable-grasp pose sampling and trajectory commitment. Our iterative approach samples multiple grasp poses, increasing the likelihood of…
Several approximations are tested by calculating the ground-state energy and the energy of the first excited $0^{+}$ state using an exactly solvable model with two symmetric levels interacting via a pairing force. They are the BCS…
To understand the dynamics of quantum many-body systems, it is essential to study excited eigenstates. While tensor network states have become a standard tool for computing ground states in computational many-body physics, obtaining…
There is longstanding fundamental interest in 6-fold coordinated $d^6$ ($t_{2g}^6$) transition metal complexes such as [Ru(bpy)$_3$]$^{2+}$ and Ir(ppy)$_3$, particularly their phosphorescence. This interest has increased with the growing…
This work presents a computationally lightweight motion planner for over-actuated platforms. For this purpose, a general state-space model for mobile platforms with several kinematic chains is defined, which considers non-linearities and…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
We introduce an approach to improve single-reference coupled cluster theory in settings where the Aufbau determinant is absent from or plays only a small role in the true wave function. Using a de-excitation operator that can be efficiently…
We propose a new block localized excitation (BLE) method to directly construct diabatic excited states without the need to first compute the adiabatic states. The new method is capable to keep any electrons, spins, and excitations localized…
In equilibrium, the collective behaviour of particles interacting via steep, short-ranged potentials is well captured by the virial expansion of the free energy at low density. Here, we extend this approach beyond equilibrium to the case of…
We reexamine $\Delta$CCSD, a state-specific coupled-cluster (CC) with single and double excitations (CCSD) approach that targets excited states through the utilization of non-Aufbau determinants. This methodology is particularly efficient…
We present a novel numerical approach to track the response of a quantum system to an external perturbation that is progressively switched-on. The method is applied, within the framework of the density matrix renormalization group…
Motivated by the recent experiments that reported signatures of many-body localization of ultracold atoms in optical lattices [M. Schreiber {\it et al.}, Science {\bf 349}, 842 (2015)], we study dynamics of highly excited states in the…
We present an efficient particle-particle random phase approximation (ppRPA) approach that predicts accurate excitation energies of point defects, including the nitrogen-vacancy (NV$^-$) and the silicon-vacancy (SiV$^0$) centers in diamond…
We present a dynamical simulation scheme to model the highly correlated excited state dynamics of linear polyenes. We apply it to investigate the internal conversion processes of carotenoids following their photoexcitation. We use the…
Artificial neural networks have been recently introduced as a general ansatz to compactly represent many- body wave functions. In conjunction with Variational Monte Carlo, this ansatz has been applied to find Hamil- tonian ground states and…
In this letter, we report on the time- and space-resolved measurement of subradiant excited state population in an ultra-cold atomic cloud of 174Yb atoms. We use a depletion imaging technique that exploits the V-type internal energy…
Recent years have seen an explosion of interest in organic radicals due to their promise for highly efficient organic light-emitting diodes (OLEDs) and molecular qubits. However, accurately and inexpensively computing their electronic…
We show that the numerical results contained in a recent paper are affected by a non optimal implementation of the methods which have been used to obtain these results. A careful analysis done using the Rayleigh-Ritz method provides a…
Neural network quantum states are a promising tool to analyze complex quantum systems given their representative power. It can however be difficult to optimize efficiently and effectively the parameters of this type of ansatz. Here we…
Multi-task learning has gained popularity due to the advantages it provides with respect to resource usage and performance. Nonetheless, the joint optimization of parameters with respect to multiple tasks remains an active research topic.…