Related papers: Excited meson radiative transitions from lattice Q…
A direct orbital optimization method is presented for density functional calculations of excited electronic states using either a real space grid or a plane wave basis set. The method is variational, provides atomic forces in the excited…
We construct efficient interpolating fields for lattice spectroscopy of mesons by applying covariant derivatives on Jacobi smeared quark sources. These interpolators are tested in a quenched calculation of excited mesons based on the…
The spectrum of excited isovector mesons is studied using a 32^3 x 256 anisotropic lattice with u,d quark masses set to give a pion mass near 240 MeV. Results in the bosonic isovector nonstrange symmetry channels of zero total momentum are…
The temperature dependence of bottomonium correlators up to the 3S and 3P excited states are presented in the range $T \simeq 133-250$ MeV. These lattice calculations employ the non-relativistic QCD (NRQCD) approach for bottom quarks on…
We introduce a new method for the computation of the transition moments between the excited electronic states based on the expectation value formalism of the coupled cluster theory [B. Jeziorski and R. Moszynski, Int. J. Quant. Chem. 48,…
We present a simple and efficient wave function ansatz for the treatment of excited charge-transfer states in real-space quantum Monte Carlo methods. Using the recently-introduced variation-after-response method [J. Chem. Phys. 145, 081103…
We show that transient supersolid quantum states of Rydberg-excitations can be created dynamically from a Mott insulator of ground state atoms in a 2D optical-lattices by irradiating it with short laser pulses. The structure of these…
We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…
The localized operator partitioning method [Y. Khan and P. Brumer, J. Chem. Phys. 137, 194112 (2012)] rigorously defines the electronic energy on any subsystem within a molecule and gives a precise meaning to the subsystem ground and…
Progress in extracting excited-state baryon masses in lattice QCD using large sets of spatially-extended operators is presented. The use of stochastic estimates of all-to-all quark propagators with variance reduction techniques is…
We study operators to create hadronic states made of light quarks in quenched lattice gauge theory. We construct non-local gauge-invariant operators which provide information about the spatial extent of the ground state and excited states.…
Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describing vibrational motions. We introduce a new method that…
Determining quantum excited states is crucial across physics and chemistry but presents significant challenges for variational methods, primarily due to the need to enforce orthogonality to lower-energy states, often requiring…
We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1 flavor…
We compute a variety of operator-operator correlation functions to third order in the MSbar scheme in the chiral limit. These include combinations of quark bilinear currents with gauge invariant operators such as moments n = 2 and 3 of the…
Drawing on recent advances in lattice-QCD background-field techniques, the magnetic polarisability of octet baryons is calculated from the first principles of QCD. The results are presented in the context of new constituent quark-model…
We use chiral perturbation theory to study the extrapolations necessary to make physical predictions from lattice QCD data for the electromagnetic form factors of pseudoscalar mesons. We focus on the quark mass, momentum, lattice spacing,…
Using a new quark-field construction algorithm and a large variational basis of operators, we extract a highly excited isovector meson spectrum on dynamical anisotropic lattices. We show how carefully constructed operators can be used to…
We present results for the electromagnetic form factors of the proton and neutron computed on the Coordinated Lattice Simulations (CLS) ensembles with $N_f = 2 + 1$ flavors of $\mathcal{O}(a)$-improved Wilson fermions and an…
A method for computing all-point quark propagators is applied to a variety of processes of physical interest in lattice QCD. The method allows, for example, efficient calculation of disconnected parts and full momentum-space 2 and 3 point…