OPTIMIZED QUASIPARTICLE DENSITY FUNCTIONAL AND GREEN’S FUNCTIONS METHOD TO COMPUTING BOND ENERGIES OF DIATOMIC MOLECULES

It is presented an advanced approach to computing the energy and spectral parameters of the diatomic molecules, which is based on the hybrid combined density functional theory (DFT) and the Green’s-functions (GF) approach. The Fermi-liquid quasiparticle version of the density functional theory is modified and used. The density of states, which describe the vibrational structure in photoelectron spectra, is defined with the use of combined DFT-GF approach and is well approximated by using only the first order coupling constants in the optimized one-quasiparticle approximation. Using the combined DFT-GF approach to computing the spectroscopic factors of diatomic molecules leads to significant simplification of the calculation procedure and increasing an accuracy of theoretical prediction. As illustration, the results of computing the bond energies in a number of known diatomic molecules are presented and compared with alternative theoretical results, obtained within discrete-variational , muffin-tin orbitals and other methods.

Matched Field Processing for complex Earth structure

Matched Field Processing (MFP) is a technique to locate the source of a recorded wave field. It is the generalization of beamforming, allowing for curved wavefronts. In the standard approach to MFP, simple analytical Green's functions are used as synthetic wave fields that the recorded wave fields are matched against. We introduce an advancement of MFP by utilizing Green's functions computed numerically for real Earth structure as synthetic wave fields. This allows in principle to incorporate the full complexity of elastic wave propagation, and through that provide more precise estimates of the recorded wave field's origin. This approach also further emphasizes the deep connection between MFP and the recently introduced interferometry-based source localisation strategy for the ambient seismic field. We explore this connection further by demonstrating that both approaches are based on the same idea: both are measuring the (mis-)match of correlation wave fields. To demonstrate the applicability and potential of our approach, we present two real data examples, one for an earthquake in Southern California, and one for secondary microseism activity in the Northeastern Atlantic and Mediterranean Sea. Tutorial code is provided to make MFP more approachable for the broader seismological community.

QCD Effective Locality: A Theoretical and Phenomenological Review

About ten years ago, the use of standard functional manipulations was demonstrated to imply an unexpected property satisfied by the fermionic Green’s functions of QCD and dubbed Effective Locality. This feature of QCD is non-perturbative, as it results from a full gauge invariant integration of the gluonic degrees of freedom. In this review article, a few salient theoretical aspects and phenomenological applications of this property are summarized.