Related papers: Benchmark of dynamic electron correlation models f…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
The potential-energy and quadrupole-moment functions of the H$_2$ ground electronic state are well known in literature (Komasa et al., 2019; Wolniewicz et al., 1998), and the line list of the vibrational-rotational transitions was…
I construct the spectral function of the Luther-Emery model which describes one-dimensional fermions with one gapless and one gapped degree of freedom, i.e. superconductors and Peierls and Mott insulators, by using symmetries, relations to…
We study observables in a conformal field theory which are very closely related to the ones used to describe hadronic events at colliders. We focus on the correlation functions of the energies deposited on calorimeters placed at a large…
We consider neutral- and charged-current Drell Yan lepton-pair production at hadron colliders, and include dominant classes of electroweak and mixed QCD-electroweak corrections to all orders in perturbation theory. The accurate description…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…
Recently, ``Higgsless'' models of electroweak symmetry breaking have been proposed. Based on compactified five-dimensional gauge theories, these models achieve unitarity of electroweak boson self-interactions through the exchange of a tower…
Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately describes strong correlations while working in a Hilbert space much smaller than that needed for full configuration interaction. However, the scaling…
Analytical formulas for the excitation energies as well as for the electric quadrupole reduced transition probabilities in the ground, beta and gamma bands were derived within the coherent state model for the near vibrational and well…
The accurate treatment of electronic effects in multi-million atom simulations of radiation-induced collision cascades is crucial for reliable predictions of primary radiation damage. In this work, we explore the performance of a recently…
Correlation functions of hadrons can be accessed in high-energy collisions of atomic nuclei, revealing information about the underlying interaction. This work complements experimental efforts to study nucleon-deuteron $Nd$ -- with $N=p$…
Diradical molecules are essential species involved in many organic and inorganic chemical reactions. The computational study of their electronic structure is often challenging, because a reliable description of the correlation, and in…
Collider experiments often exploit information about the quantum numbers of final state hadrons to maximize their sensitivity, with applications ranging from the use of tracking information (electric charge) for precision jet substructure…
We assess the predictive accuracy of perturbation theory based estimates of changes in covalent bonding due to linear alchemical interpolations among molecules. We have investigated $\sigma$ bonding to hydrogen, as well as $\sigma$ and…
The nonlinear gravitational-wave (GW) memory effect$\unicode{x2014}$a permanent shift in the GW strain that arises from nonlinear GW interactions in the wave zone$\unicode{x2014}$is a prediction of general relativity which has not yet been…
The systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
We present a semi-relativistic model for the description of the ionization process of atomic hydrogen by electron impact in the first Born approximation by using the Darwin wave function to describe the bound state of atomic hydrogen and…
We analyse the correlated back and forth dynamics and dynamic heterogeneities, i.e. the presence of fast and slow ions, for a lithium metasilicate system via computer simulations. For this purpose we define, in analogy to previous work in…