36 research outputs found
Targeted Excited State Algorithms
To overcome the limitations of the traditional state-averaging approaches in
excited state calculations, where one solves for and represents all states
between the ground state and excited state of interest, we have investigated a
number of new excited state algorithms. Building on the work of van der Vorst
and Sleijpen (SIAM J. Matrix Anal. Appl., 17, 401 (1996)), we have implemented
Harmonic Davidson and State-Averaged Harmonic Davidson algorithms within the
context of the Density Matrix Renormalization Group (DMRG). We have assessed
their accuracy and stability of convergence in complete active space DMRG
calculations on the low-lying excited states in the acenes ranging from
naphthalene to pentacene. We find that both algorithms offer increased accuracy
over the traditional State-Averaged Davidson approach, and in particular, the
State-Averaged Harmonic Davidson algorithm offers an optimal combination of
accuracy and stability in convergence
Tato Pavlovsky y Elvira Onetto
En Octubre de 2014 se realizaron en la Facultad de Arte las primeras Jornadas de Dirección en Artes escénicas1. En este marco se presentó la obra Asuntos Pendientes de Tato Pavlovsky; con dirección de Elvira Onetto y las actuaciones de Susy Evans, Eduardo Misch, Paula Marrón y Eduardo Pavlovsky. A casi un año de la muerte de Tato recordamos su profundo compromiso con la cultura y el teatro, publicando estos fragmentos de la charla que él y Elvira Onetto mantuvieron con el público de las jornadas el dÃa previo a la función. La misma fue moderada por Paula Fernández.1Estas Jornadas fueron organizadas por los docentes- investigadores: Paula Fernández, Jerónimo Ruiz, Gabriela González y Agustina Fittipaldi. Â
Nintedanib in patients with systemic sclerosis-associated interstitial lung disease: subgroup analyses by autoantibody status and skin score
OBJECTIVE: We used data from the SENSCIS trial to assess the effects of nintedanib versus placebo in subgroups of patients with SSc-ILD based on characteristics associated with progression of SSc-ILD in previous studies. METHODS: Patients with SSc-ILD were randomized to receive nintedanib or placebo, stratified by anti-topoisomerase I antibody (ATA) status. We assessed the rate of decline in forced vital capacity (FVC) (mL/year) over 52 weeks in subgroups by baseline ATA status, modified Rodnan skin score (mRSS) ( 0.05 for all). CONCLUSION: In patients with SSc-ILD, no heterogeneity was detected in the treatment effect of nintedanib in reducing the annual rate of decline in FVC across subgroups based on ATA status, mRSS, and SSc subtype
Modes of Foreign Entry under Asymmetric Information about Potential Technology Spillovers
This paper studies the effect of technology spillovers on the entry decision of a multinational enterprise into a foreign market. Two alternative entry modes for a foreign direct investment are considered: Greenfield investment versus acquisition. We find that with quantity competition a spillover makes acquisitions less attractive, while with price competition acquisitions become more attractive. Asymmetric information about potential spillovers always reduces the number of
acquisitions independently of whether the host country or the entrant has private information. Interestingly, we find that asymmetric information always hurts the entrant, while it sometimes is in favor of the host country
Correct quantum chemistry in a minimal basis from effective Hamiltonians
We describe how to create ab-initio effective Hamiltonians that qualitatively
describe correct chemistry even when used with a minimal basis. The
Hamiltonians are obtained by folding correlation down from a large parent basis
into a small, or minimal, target basis, using the machinery of canonical
transformations. We demonstrate the quality of these effective Hamiltonians to
correctly capture a wide range of excited states in water, nitrogen, and
ethylene, and to describe ground and excited state bond-breaking in nitrogen
and the chromium dimer, all in small or minimal basis sets