Related papers: Computing the dipole polarizability of 48Ca with i…
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,…
Ultracold YbAg molecules have been recently proposed as promising candidates for electron electric dipole moment searches [Verma, Jayich, and Vutha, Phys. Rev. Lett. 125, 153201 (2020)]. Here, we calculate potential energy curves, permanent…
A rigorous formalism for determining the electric dipole polarizability of a three-hadron bound complex in the case that the system has only one bound (ground) state has been elaborated. On its basis, by applying a model wave function that…
The generalized Thomas-Kuhn sum rules are used to eliminate the explicit dependence on dipolar terms in the traditional sum-over-states (SOS) expression for the second hyperpolarizability to derive a new, yet equivalent, SOS expression.…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
No lines have been observed for transitions between the doublet and quartet levels of B I. Consequently, energy levels based on observation for the latter are obtained through extrapolation of wavelengths along the iso-electronic sequence…
We present first-principles theoretical determination of the three-body polarizability and the third dielectric virial coefficient of helium. Coupled-cluster theory and the full configuration interaction procedure were used to perform…
Background: Cluster states in $^{13}$N are extremely difficult to measure due to the unavailability of $^{9}$B+$\alpha$ elastic scattering data. Purpose: Using $\beta$-delayed charged-particle spectroscopy of $^{13}$O, clustered states in…
We derive the coupled-cluster doubles (CCD) amplitude equations by introduction of the particle-hole-time decoupled electronic self-energy. The resulting analysis leads to an expression for the ground state correlation energy that is…
We have in earlier papers presented an extension of Mueller's dipole cascade model, which includes subleading effects from energy conservation and running coupling as well as colour suppressed effects from pomeron loops via a ``dipole…
When the number of strongly correlated electrons becomes larger, the single-reference coupled-cluster (CC) CCSD, CCSDT, etc. hierarchy displays an erratic behavior, while traditional multi-reference approaches may no longer be applicable…
The response functions for the extended second and third random phase approximation are compared. A second order perturbation calculation shows that the first-order amplitude for the direct $3p3h$ excitation from the ground state cancels…
We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We…
Nuclear ground state and collective excitation properties provide a means to probe the nuclear matter equation of state and establish connections between observables in finite nuclei and neutron stars. Specifically, the electric dipole…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
The ALEPH data on the vector and axial-vector spectral functions, extracted from tau-lepton decays is used in order to test local and global duality, as well as a set of four QCD chiral sum rules. These are the Das-Mathur-Okubo sum rule,…
Ab initio multi-reference configuration interaction calculations are performed for the Si(100) surface using a cluster approach. The convergence with respect to the cluster size is checked and the final results are taken from a $Si_{32}…
We report theoretical results of the electric dipole moment (EDM) of $^{210}$Fr which arises from the interaction of the EDM of an electron with the internal electric field in an atom and the scalar-pseudoscalar electron-nucleus…
The pair coupled cluster doubles (pCCD) method (where the excitation manifold is restricted to electron pairs) has a series of interesting features. Among others, it provides ground-state energies very close to what is obtained with…
The aim of this work is to develop the relevant formalism for performing coupled-cluster (CC) calculations in nuclear matter and neutron star matter, including thereby important correlations to infinite order in the interaction and testing…