Search results for " Perturbation theory"
showing 10 items of 358 documents
NMR chemical shift computations at second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-…
2021
We report on a formulation and implementation of a scheme to compute NMR shieldings at second-order Moller-Plesset (MP2) perturbation theory using gauge-including atomic orbitals (GIAOs) to ensure gauge-origin independence and Cholesky decomposition (CD) to handle unperturbed as well as perturbed two-electron integrals. We investigate the accuracy of the CD for the derivatives of the two-electron integrals with respect to an external magnetic field as well as for the computed NMR shieldings, before we illustrate the applicability of our CD based GIAO-MP2 scheme in calculations involving up to about one hundred atoms and more than one thousand basis functions.
Theoretical study of the electronic spectrum of magnesium-porphyrin
1999
Multiconfigurational self-consistent field (SCF) and second order perturbation methods have been used to study the electronic spectrum of magnesium-porphyrin (MgP). An extended ANO-type basis set including polarization functions on all heavy atoms has been used. Four allowed singlet states of E1u symmetry have been computed and in addition a number of forbidden transitions and a few triplet states. The results lead to a consistent interpretation of the electronic spectrum, where the Q band contains one transition, the B band two, and the N band one. The computed transition energies are consistently between 0.1 and 0.5 too low compared to the measured band maxima. The source of the discrepan…
Chiral expansion of the nucleon mass to order q^6
2006
We present the results of a complete two-loop calculation at order q^6 of the nucleon mass in manifestly Lorentz-invariant chiral perturbation theory. The renormalization is performed using the reformulated infrared renormalization, which allows for the treatment of two-loop integrals while preserving all relevant symmetries, in particular chiral symmetry.
The role of resonances in chiral perturbation theory
1989
32 páginas, 2 figuras, 5 tablas.-- BUTP-88-18 ; CERN-TH-5185-88 ; CPT-2158 ; UWTHPH-1988-29.
In-medium pi-pi Correlation Induced by Partial Restoration of Chiral Symmetry
2000
We show that both the linear and the non-linear chiral models give an enhancement of the pi-pi cross section near the 2pi threshold in the scalar-iso-scalar (I=J=0) channel in nuclear matter. The reduction of the chiral condensate, i.e., the partial chiral restoration in nuclear matter, is responsible for the enhancement in both cases. We extract an effective 4pi-nucleon vertex which is responsible for the enhancement but has not been considered in the non-liear models for in-medium pi-pi interaction. Relation of this vertex and a next-to-leading order terms in the heavy-baryon chiral lagrangian, L_piN^(2), is also discussed.
Chiral dynamics in the γ→p→pπ0 reaction
2015
Abstract We investigate the neutral pion photoproduction on the proton near threshold in covariant chiral perturbation theory with the explicit inclusion of Δ degrees of freedom. This channel is specially sensitive to chiral dynamics and the advent of very precise data from the Mainz microtron has shown the limits of the convergence of the chiral series for both the heavy baryon and the covariant approaches. We show that the inclusion of the Δ resonance substantially improves the convergence leading to a good agreement with data for a wider range of energies.
Non-Leptonic Kaon Decays and the Chiral Anomaly
1994
32 páginas, 3 figuras, 4 tablas.-- El PDF es el artículo publicado en el CERN en Junio de 1993.
Anomalous non-leptonic kaon decays
1992
8 páginas, 1 figura.
Pion photo- and electroproduction in relativistic baryon chiral perturbation theory and the chiral MAID interface
2013
We present a calculation of pion photo- and electroproduction in manifestly Lorentz-invariant baryon chiral perturbation theory up to and including order ${q}^{4}$. We fix the low-energy constants by fitting experimental data in all available reaction channels. Our results can be accessed via a Web interface, the so-called chiral MAID. We explain how our program works and how it can be used for further analysis.
Pion Production at Threshold as Test of Chiral Perturbation Theory
2003
An overview of recent results in threshold pion production is given. While the photoproduction data are in impressive agreement with calculations in the framework of Chiral Perturbation Theory, electroproduction data at low four-momentum transfer show severe deviations from these calculations.