Search results for " perturbation theory"
showing 10 items of 358 documents
A theoretical study of the 1B2u and 1B1u vibronic bands in benzene
2000
The two lowest bands, 1B2u and 1B1u, of the electronic spectrum of the benzene molecule have been studied theoretically using a new method to compute vibronic excitation energies and intensities. The complete active space (CAS) self-contained field (SCF) method (with six active π-orbitals) was used to compute harmonic force field for the ground state and the 1B2u and 1B1u electronic states. A linear approximation has been used for the transition dipole as a function of the nuclear displacement coordinates. Derivatives of the transition dipole were computed using a variant of the CASSCF state interaction method. Multiconfigurational second-order perturbation theory (CASPT2) was used to obtai…
Dark coupling and gauge invariance
2010
We study a coupled dark energy–dark matter model in which the energymomentum exchange is proportional to the Hubble expansion rate. The inclusion of its perturbation is required by gauge invariance. We derive the linear perturbation equations for the gauge invariant energy density contrast and velocity of the coupled fluids, and we determine the initial conditions. The latter turn out to be adiabatic for dark energy, when assuming adiabatic initial conditions for all the standard fluids. We perform a full Monte Carlo Markov Chain likelihood analysis of the model, using WMAP 7-year data.
Dark coupling
2009
30 pages, 10 figures, 3 tables.-- Pre-print archive.
Many-body perturbation theory calculations using the yambo code
2019
Abstract yambo is an open source project aimed at studying excited state properties of condensed matter systems from first principles using many-body methods. As input, yambo requires ground state electronic structure data as computed by density functional theory codes such as Quantum ESPRESSO and Abinit. yambo’s capabilities include the calculation of linear response quantities (both independent-particle and including electron–hole interactions), quasi-particle corrections based on the GW formalism, optical absorption, and other spectroscopic quantities. Here we describe recent developments ranging from the inclusion of important but oft-neglected physical effects such as electron–phonon i…
The role of the $\Delta(1232)$-resonance in covariant baryon chiral perturbation theory
2013
We stress, on theoretical and phenomenological grounds, the importance of the $\Delta(1232)$-resonance in a chiral effective field theory approach applied to the study of $\pi N$ scattering. We show how its inclusion as a dynamical degree of freedom allow us to obtain reliably valuable information from $\pi N$ scattering data.
Pion photo- and electro-production and the chiral MAID interface
2016
We discuss the extended on-mass-shell scheme for manifestly Lorentz-invariant baryon chiral perturbation theory. We present a calculation of pion photo- and electroproduction up to and including order q 4 . The low-energy constants have been fixed by fitting experimental data in all available reaction channels. Our results can be accessed via a web interface, the so-called chiral MAID (http://www.kph.uni-mainz.de/MAID/chiralmaid/). We explain how our program works and how it can be used for further analysis.
Including theΔ(1232)resonance in baryon chiral perturbation theory
2005
Baryon chiral perturbation theory with explicit $\ensuremath{\Delta}(1232)$ degrees of freedom is considered. The most general interactions of pions, nucleons, and \ensuremath{\Delta} consistent with all underlying symmetries as well as with the constraint structure of higher-spin fields are constructed. By use of the extended on-mass-shell renormalization scheme, a manifestly Lorentz-invariant effective-field theory with a systematic power counting is obtained. As applications, we discuss the mass of the nucleon, the pion-nucleon \ensuremath{\sigma} term, and the pole of the \ensuremath{\Delta} propagator.
Theoretical study of the low‐lying states of trans‐1,3‐butadiene
1992
We present extensive ab initio calculations on the low‐lying electronic states of trans‐1,3‐butadiene within the multireference configuration interaction (MRCI) framework by selecting the configurations with a perturbative criterion. The X 1Ag ground state and 1 3Bu, 1 3Ag, 2 1Ag, and 1 1Bu valence excited states have been calculated at a fixed geometry. The results obtained are in good agreement with previous experimental and calculated values, and could help to understand polyene spectroscopy, photochemistry, and photophysics. The advantages of a MRCI method where the most important contributions to the total MRCI wave function, perturbatively selected, are treated variationally, and the …
Transverse-momentum-dependent Multiplicities of Charged Hadrons in Muon-Deuteron Deep Inelastic Scattering
2017
A semi-inclusive measurement of charged hadron multiplicities in deep inelastic muon scattering off an isoscalar target was performed using data collected by the COMPASS Collaboration at CERN. The following kinematic domain is covered by the data: photon virtuality $Q^{2}>1$ (GeV/$c$)$^2$, invariant mass of the hadronic system $W > 5$ GeV/$c^2$, Bjorken scaling variable in the range $0.003 < x < 0.4$, fraction of the virtual photon energy carried by the hadron in the range $0.2 < z < 0.8$, square of the hadron transverse momentum with respect to the virtual photon direction in the range 0.02 (GeV/$c)^2 < P_{\rm{hT}}^{2} < 3$ (GeV/$c$)$^2$. The multiplicities are pres…
The one loop gluon emission light cone wave function
2017
Light cone perturbation theory has become an essential tool to calculate cross sections for various small-$x$ dilute-dense processes such as deep inelastic scattering and forward proton-proton and proton-nucleus collisions. Here we set out to do one loop calculations in an explicit helicity basis in the four dimensional helicity scheme. As a first process we calculate light cone wave function for one gluon emission to one-loop order in Hamiltonian perturbation theory on the light front. We regulate ultraviolet divergences with transverse dimensional regularization and soft divergences with using a cut-off on longitudinal momentum. We show that when all the renormalization constants are comb…