Search results for "Ground State"
showing 10 items of 928 documents
Stimulated transitions in resonant atom Majorana mixing
2018
Massive neutrinos demand to ask whether they are Dirac or Majorana particles. Majorana neutrinos are an irrefutable proof of physics beyond the Standard Model. Neutrinoless double electron capture is not a process but a virtual $\Delta L = 2$ mixing between a parent $^AZ$ atom and a daughter $^A(Z-2)$ excited atom with two electron holes. As a mixing between two neutral atoms and the observable signal in terms of emitted two-hole X-rays, the strategy, experimental signature and background are different from neutrinoless double beta decay. The mixing is resonantly enhanced for almost degeneracy and, under these conditions, there is no irreducible background from the standard two-neutrino cha…
Approximate energy functionals for one-body reduced density matrix functional theory from many-body perturbation theory
2018
We develop a systematic approach to construct energy functionals of the one-particle reduced density matrix (1RDM) for equilibrium systems at finite temperature. The starting point of our formulation is the grand potential $\Omega [\mathbf{G}]$ regarded as variational functional of the Green's function $G$ based on diagrammatic many-body perturbation theory and for which we consider either the Klein or Luttinger-Ward form. By restricting the input Green's function to be one-to-one related to a set on one-particle reduced density matrices (1RDM) this functional becomes a functional of the 1RDM. To establish the one-to-one mapping we use that, at any finite temperature and for a given 1RDM $\…
First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases
2020
An extensive theoretical characterization of the singlet excited state manifold of the five canonical DNA/RNA nucleobases (thymine, cytosine, uracil, adenine and guanine) in gas-phase is carried out with time-dependent density functional theory (TD-DFT) and restricted active space second-order perturbation theory (RASPT2) approaches. Both ground state and excited state absorptions are analyzed and compared between these different theoretical approaches, assessing the performance of the hybrid B3LYP and CAM-B3LYP (long-range corrected) functionals with respect to the RASPT2 reference. By comparing the TD-DFT estimates with our reference for high-lying excited states, we are able to narrow do…
Modelling Photoionisations in Tautomeric DNA Nucleobase Derivatives 7H-Adenine and 7H-Guanine: Ultrafast Decay and Photostability
2021
The study of radiation effects in DNA is a multidisciplinary endeavour, connecting the physical, chemical and biological sciences. Despite being mostly filtered by the ozone layer, sunlight radiation is still expected to (photo)ionise DNA in sizeable yields, triggering an electron removal process and the formation of potentially reactive cationic species. In this manuscript, photoionisation decay channels of important DNA tautomeric derivatives, 7H-adenine and 7H-guanine, are characterised with accurate CASSCF/XMS-CASPT2 theoretical methods. These simulation techniques place the onset of ionisation for 7H-adenine and 7H-guanine on average at 8.98 and 8.43 eV, in line with recorded experimen…
Nonlinear Hanle effect in Cs vapor under strong laser excitation
2002
We report results of a theoretical and experimental study of the ground state nonlinear Hanle effect under strong laser excitation. It is shown that besides the well-known zero-magnetic field suppression of absorption on F g = F→F e = F - 1 transitions caused by population trapping, an optical pumping induced enhanced absorption occurs on F g = F→F e = F + 1 transitions for small B-fields. The latter effect becomes more pronounced for high F values. The experiment with atomic vapor of Cs (D2 line, F g = 4) confirms an increase of the spectrally unresolved fluorescence yield at zero magnetic field and 600 mW/cm2 laser intensity by 9% or 42%, when excitation occurs with linearly or circularly…
Vacuum local and global electromagnetic self-energies for a point-like and an extended field source
2013
We consider the electric and magnetic energy densities (or equivalently field fluctuations) in the space around a point-like field source in its ground state, after having subtracted the spatially uniform zero-point energy terms, and discuss the problem of their singular behavior at the source's position. We show that the assumption of a point-like source leads, for a simple Hamiltonian model of the interaction of the source with the electromagnetic radiation field, to a divergence of the renormalized electric and magnetic energy density at the position of the source. We analyze in detail the mathematical structure of such singularity in terms of a delta function and its derivatives. We als…
Functions Characterizing the Ground State of the XXZ Spin-1/2 Chain in the Thermodynamic Limit
2013
We establish several properties of the solutions to the linear integral equations describing the infinite volume properties of the XXZ spin-1/2 chain in the disordered regime. In particular, we obtain lower and upper bounds for the dressed energy, dressed charge and density of Bethe roots. Furthermore, we establish that given a fixed external magnetic field (or a fixed magnetization) there exists a unique value of the boundary of the Fermi zone.
Theory of ground state factorization in quantum cooperative systems.
2008
We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows to determine rigorously existence, location, and exact form of separable ground states in a large variety of, generally non-exactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range.
Confinement-deconfinement transition due to spontaneous symmetry breaking in quantum Hall bilayers
2015
Band-inverted electron-hole bilayers support quantum spin Hall insulator and exciton condensate phases. We investigate such a bilayer in an external magnetic field. We show that the interlayer correlations lead to formation of a helical quantum Hall exciton condensate state. In contrast to the chiral edge states of the quantum Hall exciton condensate in electron-electron bilayers, existence of the counterpropagating edge modes results in formation of a ground state spin-texture not supporting gapless single-particle excitations. This feature has deep consequences for the low energy behavior of the system. Namely, the charged edge excitations in a sufficiently narrow Hall bar are confined, i…
Global-to-local incompatibility, monogamy of entanglement, and ground-state dimerization: Theory and observability of quantum frustration in systems …
2015
Frustration in quantum many body systems is quantified by the degree of incompatibility between the local and global orders associated, respectively, to the ground states of the local interaction terms and the global ground state of the total many-body Hamiltonian. This universal measure is bounded from below by the ground-state bipartite block entanglement. For many-body Hamiltonians that are sums of two-body interaction terms, a further inequality relates quantum frustration to the pairwise entanglement between the constituents of the local interaction terms. This additional bound is a consequence of the limits imposed by monogamy on entanglement shareability. We investigate the behavior …