133 research outputs found
Theory of nonlinear optical properties of phenyl-substituted polyacetylenes
In this paper we present a theoretical study of the third-order nonlinear
optical properties of poly(diphenyl)polyacetylene (PDPA) pertaining to the
third-harmonic-generation (THG) process. We study the aforesaid process in
PDPA's using both the independent electron Hueckel model, as well as
correlated-electron Pariser-Parr-Pople (P-P-P) model. The P-P-P model based
calculations were performed using various configuration interaction (CI)
methods such as the the multi-reference-singles-doubles CI (MRSDCI), and the
quadruples-CI (QCI) methods, and the both longitudinal and the transverse
components of third-order susceptibilities were computed. The Hueckel model
calculations were performed on oligo-PDPA's containing up to fifty repeat
units, while correlated calculations were performed for oligomers containing up
to ten unit cells. At all levels of theory, the material exhibits highly
anisotropic nonlinear optical response, in keeping with its structural
anisotropy. We argue that the aforesaid anisotropy can be divided over two
natural energy scales: (a) the low-energy response is predominantly
longitudinal and is qualitatively similar to that of polyenes, while (b) the
high-energy response is mainly transverse, and is qualitatively similar to that
of trans-stilbene.Comment: 13 pages, 7 figures (included), to appear in Physical Review B (April
15, 2004
Theory of excited state absorptions in phenylene-based -conjugated polymers
Within a rigid-band correlated electron model for oligomers of
poly-(paraphenylene) (PPP) and poly-(paraphenylenevinylene) (PPV), we show that
there exist two fundamentally different classes of two-photon A states in
these systems to which photoinduced absorption (PA) can occur. At relatively
lower energies there occur A states which are superpositions of one
electron - one hole (1e--1h) and two electron -- two hole (2e--2h) excitations,
that are both comprised of the highest delocalized valence band and the lowest
delocalized conduction band states only. The dominant PA is to one specific
member of this class of states (the mA). In addition to the above class of
A states, PA can also occur to a higher energy kA state whose 2e--2h
component is {\em different} and has significant contributions from excitations
involving both delocalized and localized bands. Our calculated scaled energies
of the mA and the kA agree reasonably well to the experimentally
observed low and high energy PAs in PPV. The calculated relative intensities of
the two PAs are also in qualitative agreement with experiment. In the case of
ladder-type PPP and its oligomers, we predict from our theoretical work a new
intense PA at an energy considerably lower than the region where PA have been
observed currently. Based on earlier work that showed that efficient
charge--carrier generation occurs upon excitation to odd--parity states that
involve both delocalized and localized bands, we speculate that it is the
characteristic electronic nature of the kA that leads to charge generation
subsequent to excitation to this state, as found experimentally.Comment: Revtex4 style, 2 figures inserted in the text, three tables, 10 page
Ground-state phase diagram of the one-dimensional half-filled extended Hubbard model
We revisit the ground-state phase diagram of the one-dimensional half-filled
extended Hubbard model with on-site (U) and nearest-neighbor (V) repulsive
interactions. In the first half of the paper, using the weak-coupling
renormalization-group approach (g-ology) including second-order corrections to
the coupling constants, we show that bond-charge-density-wave (BCDW) phase
exists for U \approx 2V in between charge-density-wave (CDW) and
spin-density-wave (SDW) phases. We find that the umklapp scattering of
parallel-spin electrons disfavors the BCDW state and leads to a bicritical
point where the CDW-BCDW and SDW-BCDW continuous-transition lines merge into
the CDW-SDW first-order transition line. In the second half of the paper, we
investigate the phase diagram of the extended Hubbard model with either
additional staggered site potential \Delta or bond alternation \delta. Although
the alternating site potential \Delta strongly favors the CDW state (that is, a
band insulator), the BCDW state is not destroyed completely and occupies a
finite region in the phase diagram. Our result is a natural generalization of
the work by Fabrizio, Gogolin, and Nersesyan [Phys. Rev. Lett. 83, 2014
(1999)], who predicted the existence of a spontaneously dimerized insulating
state between a band insulator and a Mott insulator in the phase diagram of the
ionic Hubbard model. The bond alternation \delta destroys the SDW state and
changes it into the BCDW state (or Peierls insulating state). As a result the
phase diagram of the model with \delta contains only a single critical line
separating the Peierls insulator phase and the CDW phase. The addition of
\Delta or \delta changes the universality class of the CDW-BCDW transition from
the Gaussian transition into the Ising transition.Comment: 24 pages, 20 figures, published versio
The global, regional, and national burden of adult lip, oral, and pharyngeal cancer in 204 countries and territories:A systematic analysis for the Global Burden of Disease Study 2019
Importance Lip, oral, and pharyngeal cancers are important contributors to cancer burden worldwide, and a comprehensive evaluation of their burden globally, regionally, and nationally is crucial for effective policy planning.Objective To analyze the total and risk-attributable burden of lip and oral cavity cancer (LOC) and other pharyngeal cancer (OPC) for 204 countries and territories and by Socio-demographic Index (SDI) using 2019 Global Burden of Diseases, Injuries, and Risk Factors (GBD) Study estimates.Evidence Review The incidence, mortality, and disability-adjusted life years (DALYs) due to LOC and OPC from 1990 to 2019 were estimated using GBD 2019 methods. The GBD 2019 comparative risk assessment framework was used to estimate the proportion of deaths and DALYs for LOC and OPC attributable to smoking, tobacco, and alcohol consumption in 2019.Findings In 2019, 370 000 (95% uncertainty interval [UI], 338 000-401 000) cases and 199 000 (95% UI, 181 000-217 000) deaths for LOC and 167 000 (95% UI, 153 000-180 000) cases and 114 000 (95% UI, 103 000-126 000) deaths for OPC were estimated to occur globally, contributing 5.5 million (95% UI, 5.0-6.0 million) and 3.2 million (95% UI, 2.9-3.6 million) DALYs, respectively. From 1990 to 2019, low-middle and low SDI regions consistently showed the highest age-standardized mortality rates due to LOC and OPC, while the high SDI strata exhibited age-standardized incidence rates decreasing for LOC and increasing for OPC. Globally in 2019, smoking had the greatest contribution to risk-attributable OPC deaths for both sexes (55.8% [95% UI, 49.2%-62.0%] of all OPC deaths in male individuals and 17.4% [95% UI, 13.8%-21.2%] of all OPC deaths in female individuals). Smoking and alcohol both contributed to substantial LOC deaths globally among male individuals (42.3% [95% UI, 35.2%-48.6%] and 40.2% [95% UI, 33.3%-46.8%] of all risk-attributable cancer deaths, respectively), while chewing tobacco contributed to the greatest attributable LOC deaths among female individuals (27.6% [95% UI, 21.5%-33.8%]), driven by high risk-attributable burden in South and Southeast Asia.Conclusions and Relevance In this systematic analysis, disparities in LOC and OPC burden existed across the SDI spectrum, and a considerable percentage of burden was attributable to tobacco and alcohol use. These estimates can contribute to an understanding of the distribution and disparities in LOC and OPC burden globally and support cancer control planning efforts
ϒ production in p–Pb collisions at √sNN=8.16 TeV
ϒ production in p–Pb interactions is studied at the centre-of-mass energy per nucleon–nucleon collision √sNN = 8.16 TeV with the ALICE detector at the CERN LHC. The measurement is performed reconstructing bottomonium resonances via their dimuon decay channel, in the centre-of-mass rapidity intervals 2.03 < ycms < 3.53 and −4.46 < ycms < −2.96, down to zero transverse momentum. In this work, results on the ϒ(1S) production cross section as a function of rapidity and transverse momentum are presented. The corresponding nuclear modification factor shows a suppression of the ϒ(1S) yields with respect to pp collisions, both at forward and backward rapidity. This suppression is stronger in the low transverse momentum region and shows no significant dependence on the centrality of the interactions. Furthermore, the ϒ(2S) nuclear modification factor is evaluated, suggesting a suppression similar to that of the ϒ(1S). A first measurement of the ϒ(3S) has also been performed. Finally, results are compared with previous ALICE measurements in p–Pb collisions at √sNN = 5.02 TeV and with theoretical calculations.publishedVersio
(Anti-)deuteron production in pp collisions at 1as=13TeV
The study of (anti-)deuteron production in pp collisions has proven to be a powerful tool to investigate the formation mechanism of loosely bound states in high-energy hadronic collisions. In this paper the production of (anti-)deuterons is studied as a function of the charged particle multiplicity in inelastic pp collisions at s=13 TeV using the ALICE experiment. Thanks to the large number of accumulated minimum bias events, it has been possible to measure (anti-)deuteron production in pp collisions up to the same charged particle multiplicity (d Nch/ d \u3b7 3c 26) as measured in p\u2013Pb collisions at similar centre-of-mass energies. Within the uncertainties, the deuteron yield in pp collisions resembles the one in p\u2013Pb interactions, suggesting a common formation mechanism behind the production of light nuclei in hadronic interactions. In this context the measurements are compared with the expectations of coalescence and statistical hadronisation models (SHM)
Multiplicity dependence of inclusive J/psi production at midrapidity in pp collisions at root s=13 TeV
Measurements of the inclusive J/psi yield as a function of charged-particle pseudorapidity density dN(ch)/d eta in pp collisions at root s = 13 TeV with ALICE at the LHC are reported. The J/psi meson yield is measured at midrapidity (vertical bar y vertical bar <0.9) in the dielectron channel, for events selected based on the charged-particle multiplicity at midrapidity (vertical bar eta vertical bar <1) and at forward rapidity (-3.7 <eta <-1.7 and 2.8 <eta <5.1); both observables are normalized to their corresponding averages in minimum bias events. The increase of the normalized J/psi yield with normalized dN(ch)/d eta is significantly stronger than linear and dependent on the transverse momentum. The data are compared to theoretical predictions, which describe the observed trends well, albeit not always quantitatively. (C) 2020 European Organization for Nuclear Research. Published by Elsevier B.V.Peer reviewe
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