Jagiellonian University

About: Jagiellonian University is a education organization based out in Krakow, Poland. It is known for research contribution in the topics: Population & Catalysis. The organization has 17438 authors who have published 44092 publications receiving 862633 citations. The organization is also known as: Academia Cracoviensis & Akademia Krakowska.

Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties.

Abstract: ConspectusKohn–Sham theory (KST) is the “workhorse” of numerical quantum chemistry. This is particularly true for first-principles calculations of ground- and excited-state properties for larger systems, including electronic spectra, electronic dynamic and static linear and higher order response properties (including nonlinear optical (NLO) properties), conformational or dynamic averaging of spectra and response properties, or properties that are affected by the coupling of electron and nuclear motion.This Account explores the sometimes dramatic impact of the delocalization error (DE) and possible benefits from the use of long-range corrections (LC) and “tuning” of functionals in KST calculations of molecular ground-state and response properties. Tuning refers to a nonempirical molecule-specific determination of adjustable parameters in functionals to satisfy known exact conditions, for instance, that the energy of the highest occupied molecular orbital (HOMO) should be equal to the negative vertical ioni...

Comprehensive analysis of coronal mass ejection mass and energy properties over a full solar cycle

Abstract: The LASCO coronagraphs, in continuous operation since 1995, have observed the evolution of the solar corona and coronal mass ejections (CMEs) over a full solar cycle with high-quality images and regular cadence. This is the first time that such a data set becomes available and constitutes a unique resource for the study of CMEs. In this paper, we present a comprehensive investigation of the solar cycle dependence on the CME mass and energy over a full solar cycle (1996-2009) including the first in-depth discussion of the mass and energy analysis methods and their associated errors. Our analysis provides several results worthy of further studies. It demonstrates the possible existence of two event classes: normal CMEs reaching constant mass for >10 R ☉ and pseudo-CMEs which disappear in the C3 field of view. It shows that the mass and energy properties of CME reach constant levels and therefore should be measured only above ~10 R ☉. The mass density (g/R 2 ☉) of CMEs varies relatively little (< order of magnitude) suggesting that the majority of the mass originates from a small range in coronal heights. We find a sudden reduction in the CME mass in mid-2003 which may be related to a change in the electron content of the large-scale corona and we uncover the presence of a 6 month periodicity in the ejected mass from 2003 onward.

Combination of searches for invisible Higgs boson decays with the ATLAS experiment

Abstract: Dark matter particles, if sufficiently light, may be produced in decays of the Higgs boson. This Letter presents a statistical combination of searches for H→invisible decays where H is produced according to the standard model via vector boson fusion, Z(ll)H, and W/Z(had)H, all performed with the ATLAS detector using 36.1 fb^{-1} of pp collisions at a center-of-mass energy of sqrt[s]=13 TeV at the LHC. In combination with the results at sqrt[s]=7 and 8 TeV, an exclusion limit on the H→invisible branching ratio of 0.26(0.17_{-0.05}^{+0.07}) at 95% confidence level is observed (expected).

Heavy-ion collisions at the LHC-Last call for predictions

Abstract: This writeup is a compilation of the predictions for the forthcoming Heavy Ion Program at the Large Hadron Collider, as presented at the CERN Theory Institute 'Heavy Ion Collisions at the LHC - Last Call for Predictions', held from 14th May to 10th June 2007.