Local vertex corrections from exchange-correlation kernels with a discontinuity

The fundamental gap of an interacting many-electron system is given by the sum of the single-particle Kohn-Sham gap and the derivative discontinuity. The latter can be generated by advanced approximations to the exchange-correlation (XC) energy and is the key quantity to capture strong correlation with density functional theory (DFT). In this work we derive an expression for the derivative discontinuity in terms of the XC kernel of time-dependent density functional theory and demonstrate the crucial role of a discontinuity in the XC kernel itself. By relating approximate XC kernels to approximate local vertex corrections we then generate beyond-GW self-energies that include a discontinuity in the local vertex function. The quantitative importance of this result is illustrated with a numerical study of the local exchange vertex on model systems.     

Transmission of the spin-spin coupling constants through hydrogen bonds in ammonia clusters

Spin-spin coupling constants are reported using six ab initio and fifteen DFT methods for dimers and larger clusters of ammonia. An analysis of components (Fermi contact, spin dipole, paramagnetic spin-orbit, and diamagnetic spin-orbit) of more relevant coupling constants ¹J_NH′, ^1hJ_NH′ and ^2hJ_NN has been carried out. Fermi contact is the dominant term in the total value for all constants. For dimers, a relationship between the addition of direct and intermolecular coupling constants gives the direct constants of monomer. From the comparison of all ab initio and DFT methods for dimers, SOPPA(CCSD) and S55VWN5 methods are, respectively, more reliable taking into account their accuracy and the computing time. Both methods are employed for the analysis of the transmission of coupling constants through the hydrogen bond for ammonia clusters. A linear relation between the intermolecular constants ^1hJ_NH′ and the length of the hydrogen bond is found.     

Thermodynamics and relativistic kinetic theory for <Emphasis Type="Italic">q</Emphasis>-generalized Bose–Einstein and Fermi–Dirac systems

The thermodynamics and covariant kinetic theory are elaborately investigated in a non-extensive environment considering the non-extensive generalization of Bose–Einstein (BE) and Fermi–Dirac (FD) statistics. Starting with Tsallis’ entropy formula, the fundamental principles of thermostatistics are established for a grand canonical system having q-generalized BE/FD degrees of freedom. Many particle kinetic theory is set up in terms of the relativistic transport equation with q-generalized Uehling–Uhlenbeck collision term. The conservation laws are realized in terms of appropriate moments of the transport equation. The thermodynamic quantities are obtained in a weak non-extensive environment for a massive pion–nucleon and a massless quark–gluon system with non-zero baryon chemical potential. In order to get an estimate of the impact of non-extensivity on the system dynamics, the q-modified Debye mass and hence the q-modified effective coupling are estimated for a quark–gluon system.     

Binary black hole in a double magnetic monopole field

Ambient magnetic fields are thought to play a critical role in black hole jet formation. Furthermore, dual electromagnetic signals could be produced during the inspiral and merger of binary black hole systems. In this paper, we derive the exact solution for the electromagnetic field occurring when a static, axisymmetric binary black hole system is placed in the field of two magnetic or electric monopoles. As a by-product of this derivation, we also find the exact solution of the binary black hole configuration in a magnetic or electric dipole field. The presence of conical singularities in the static black hole binaries represent the gravitational attraction between the black holes that also drag the external two monopole field. We show that these off-balance configurations generate no energy outflows.     

Master integrals for double real radiation emission in heavy-to-light quark decay

We evaluate analytically the master integrals for double real radiation emission in the \(b \rightarrow u W^*\) decay, where b and u are a massive and massless quark, respectively, while \(W^{*}\) is an off-shell charged weak boson. Since the W boson can subsequently decay in a lepton anti-neutrino pair, the results of the present paper constitute a further step toward a fully analytic computation of differential distributions for the semileptonic decay of a b quark at NNLO in QCD. The latter partonic process plays a crucial role in the study of inclusive semileptonic charmless decays of B mesons. Our results are expressed in terms of multiple polylogarithms of maximum weight four.