Related papers: Global empirical potentials from purely rotational…
Objective: Global Maxwell Tomography (GMT) is a recently introduced volumetric technique for noninvasive estimation of electrical properties (EP) from magnetic resonance measurements. Previous work evaluated GMT using ideal radiofrequency…
Using a large N sigma model approximation we explicitly calculate the power spectrum of gravitational waves arising from a global phase transition in the early universe and we confirm that it is scale invariant, implying an observation of…
(Abridged) This paper introduces the formalism which connects between rotation measure ($\RM$) measurements for extragalactic sources and the cosmological magnetic field power spectrum. It is shown that the amplitude and shape of the…
Analytical expressions of the wave functions are derived for a Bohr Hamiltonian with the Manning{Rosen potential in the cases of {\gamma}-unstable nuclei and axially symmetric prolate deformed ones with {\gamma}=0. By exploiting the results…
We discuss a cosmological scenario with a stochastic background of gravitational waves sourced by the tensor perturbation due to a hybrid inflationary model with cubic potential. The tensor-to-scalar ratio for the present hybrid…
All vibrational energies of the (trans-, cis-, delocalized-) formic acid molecule are converged up to 4500 cm$^{-1}$ beyond the zero-point vibrational energy with the GENIUSH-Smolyak variational approach and using an ab initio potential…
The properties of metallic systems with important and structured excitations at low energies, such as Cu, are challenging to describe with simple models like the plasmon pole approximation (PPA), and more accurate and sometimes prohibitive…
We simulate the long-range inter-complex electronic energy transfer in Photosystem II -- from the antenna complex, via a core complex, to the reaction center -- using a non-Markovian (ZOFE) quantum master equation description that allows us…
The hydrogen molecule has become a test ground for quantum electrodynamical calculations in molecules. Expanding beyond studies on stable hydrogenic species to the heavier radioactive tritium-bearing molecules, we report on a measurement of…
This paper describes three-dimensional numerical simulations and Radio Frequency (RF) measurements of wave propagation in microwave-heated magnetized plasmas of ion sources. Full-wave solution of Maxwell's equations has been addressed…
Intense terahertz-frequency pulses induce coherent rotational dynamics and orientation of polar molecular ensembles. Exact numerical methods for rotational dynamics are computationally not feasible for the vast majority of molecular rotors…
This article provides the details on the technical derivation of the gravitational waveform and total gravitational-wave energy flux of non-spinning compact binary systems to the 4PN (fourth post-Newtonian) order beyond the Einstein…
A number of derivations of the standard neutrino oscillation formula are known, each one providing its own unique insights. Common to all treatments is the assumption that neutrinos propagate freely between source and detector, as indeed…
We describe a new approach based on semiclassical molecular dynamics that allows to simulate infrared absorption or emission spectra of molecular systems with inclusion of anharmonic intensities. This is achieved from semiclassical power…
An accurate force field is the key to the success of all molecular mechanics simulations on organic polymers and biomolecules. Accuracy beyond density functional theory is often needed to describe the intermolecular interactions, while most…
This work presents exchange potentials for specific orbitals calculated by inverting Hartree-Fock wavefunctions. This was achieved by using a Depurated Inversion Method. The basic idea of the method relies upon the substitution of…
Quantum mechanics predicts that our physical reality is influenced by events that can potentially happen but factually do not occur. Interaction-free measurements (IFMs) exploit this counterintuitive influence to detect the presence of an…
We present a rigorous derivation of a real space Full-Potential Multiple-Scattering-Theory (FP-MST), valid both for continuum and bound states, that is free from the drawbacks that up to now have impaired its development, in particular the…
We calculate single-particle excitation energies for a series of 33 molecules using fully selfconsistent GW, one-shot G$_0$W$_0$, Hartree-Fock (HF), and hybrid density functional theory (DFT). All calculations are performed within the…
We perform tests of General Relativity (GR) with gravitational waves (GWs) from the inspiral stage of compact binaries using a theory-independent framework, which adds generic phase corrections to each multipole of a GR waveform model in…