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dc.contributor.authorRomero, J.
dc.contributor.authorPosada, E.
dc.contributor.authorFlores-Moreno, R.
dc.contributor.authorReyes, A.
dc.description.abstractIn this work we propose an extended propagator theory for electrons and other types of quantum particles. This new approach has been implemented in the LOWDIN package and applied to sample calculations of atomic and small molecular systems to determine its accuracy and performance. As a first application of the method we have studied the nuclear quantum effects on electron ionization energies. We have observed that ionization energies of atoms are similar to those obtained with the electron propagator approach. However, for molecular systems containing hydrogen atoms there are improvements in the quality of the results with the inclusion of nuclear quantum effects. An energy term analysis has allowed us to conclude that nuclear quantum effects are important for zero order energies whereas propagator results correct the electron and electron-nuclear correlation terms. Results presented for a series of n-alkanes have revealed the potential of this method for the accurate calculation of ionization energies of a wide variety of molecular systems containing hydrogen nuclei. The proposed methodology will also be applicable to exotic molecular systems containing positrons or muons. " 2012 American Institute of Physics.",,,,,,"10.1063/1.4745076",,,"","",,,,,,"7",,"Journal of Chemical Physics",,,,"137",,"Scopus
dc.description.abstractWOS",,,,,,,,,,,,"A generalized any particle propagator theory: Assessment of nuclear quantum effects on electron propagator calculations",,"Article" "40755","123456789/35008",,"Carrasco-Alvarez, R., Universidad de Guadalajara, Barragán 1421Guadalajara, JAL, Mexico; Vázquez Castillo, J., Universidad de Quintana Roo, Boulevard Bahia s/nChetumal, QRoo, Mexico; Castillo Atoche, A., Universidad Autónoma de Yucatán, Avenida Industrias No Contaminantes, S/NMérida, YUC, Mexico; Ortegón Aguilar, J., Universidad de Quintana Roo, Boulevard Bahia s/nChetumal, QRoo, Mexico",,"Carrasco-Alvarez, R.
dc.description.abstractVazquez Castillo, J.
dc.description.abstractCastillo Atoche, A.
dc.description.abstractOrtegon Aguilar, J.",,"2015",,"Channel simulators are powerful tools that permit performance tests of the individual parts of a wireless communication system. This is relevant when new communication algorithms are tested, because it allows us to determine if they fulfill the communications standard requirements. One of these tests consists of evaluating the system performance when a communication channel is considered. In this sense, it is possible to model the channel as an FIR filter with time-varying random coefficients. If the number of coefficients is increased, then a better approach to real scenarios can be achieved; however, in that case, the computational complexity is increased. In order to address this issue, a design methodology for computing the time-varying coefficients of the fading channel simulators using consumer-designed graphic processing units (GPUs) is proposed. With the use of GPUs and the proposed methodology, it is possible for nonspecialized users in parallel computing to accelerate their simulation developments when compared to conventional software. Implementation results show that the proposed approach allows the easy generation of communication channels while reducing the processing time. Finally, GPU-based implementation takes precedence when compared with the CPU-based implementation, due to the scattered nature of the channel. " 2015 R. Carrasco-Alvarez et al.
dc.titleA fading channel simulator implementation based on GPU computing techniques
dc.relation.ispartofjournalMathematical Problems in Engineering
dc.contributor.affiliationRomero, J., Department of Chemistry, Universidad Nacional de Colombia, Av. Cra. 30 #45-03, Bogotá, Colombia; Posada, E., Department of Chemistry, Universidad Nacional de Colombia, Av. Cra. 30 #45-03, Bogotá, Colombia; Flores-Moreno, R., Departamento de Química, Universidad de Guadalajara, Blvd. Marcelino García Barragán 1421, Guadalajara Jal., C.P. 44430, Mexico; Reyes, A., Department of Chemistry, Universidad Nacional de Colombia, Av. Cra. 30 #45-03, Bogotá, Colombia
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