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Title: ACCURATE TIME-DEPENDENT WAVE PACKET STUDY OF THE H{sup +}+LiH REACTION AT EARLY UNIVERSE CONDITIONS

Abstract

The dynamics and kinetics of the H{sup +} + LiH reaction have been studied using a quantum reactive time-dependent wave packet (TDWP) coupled-channel quantum mechanical method on an ab initio potential energy surface at conditions of the early universe. The total reaction probabilities for the H{sup +} + LiH(v = 0, j = 0) {yields} H{sup +} {sub 2} + Li process have been calculated from 5 Multiplication-Sign 10{sup -3} eV up to 1 eV for total angular momenta J from 0 to 110. Using a Langevin model, integral cross sections have been calculated in that range of collision energies and extrapolated for energies below 5 Multiplication-Sign 10{sup -3} eV. The calculated rate constants are found to be nearly independent of temperature in the 10-1000 K interval with a value of Almost-Equal-To 10{sup -9} cm{sup 3} s{sup -1}, which is in good agreement with estimates used in evolutionary models of the early universe lithium chemistry.

Authors:
;  [1]; ; ;  [2];  [3]
  1. Department of Physics, Firat University, 23169 Elazig (Turkey)
  2. Departamento de Quimica Fisica I, Facultad de Ciencias Quimicas (Unidad Asociada CSIC), Universidad Complutense de Madrid, 28040 Madrid (Spain)
  3. Instituto de Fisica Fundamental, CSIC, C/Serrano 123, E-28006 Madrid (Spain)
Publication Date:
OSTI Identifier:
22086474
Resource Type:
Journal Article
Journal Name:
Astrophysical Journal
Additional Journal Information:
Journal Volume: 759; Journal Issue: 1; Other Information: Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0004-637X
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; 79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; ANGULAR MOMENTUM; ASTRONOMY; ASTROPHYSICS; COSMOLOGY; COUPLED CHANNEL THEORY; EV RANGE; HYDROGEN IONS 1 MINUS; HYDROGEN IONS 1 PLUS; INTEGRAL CROSS SECTIONS; ION COLLISIONS; LITHIUM HYDRIDES; MOLECULES; POTENTIAL ENERGY; PROBABILITY; QUANTUM MECHANICS; REACTION KINETICS; TIME DEPENDENCE; UNIVERSE; WAVE PACKETS

Citation Formats

Aslan, E., Bulut, N., Castillo, J. F., Banares, L., Aoiz, F. J., and Roncero, O., E-mail: jfernand@quim.ucm.es. ACCURATE TIME-DEPENDENT WAVE PACKET STUDY OF THE H{sup +}+LiH REACTION AT EARLY UNIVERSE CONDITIONS. United States: N. p., 2012. Web. doi:10.1088/0004-637X/759/1/31.
Aslan, E., Bulut, N., Castillo, J. F., Banares, L., Aoiz, F. J., & Roncero, O., E-mail: jfernand@quim.ucm.es. ACCURATE TIME-DEPENDENT WAVE PACKET STUDY OF THE H{sup +}+LiH REACTION AT EARLY UNIVERSE CONDITIONS. United States. doi:10.1088/0004-637X/759/1/31.
Aslan, E., Bulut, N., Castillo, J. F., Banares, L., Aoiz, F. J., and Roncero, O., E-mail: jfernand@quim.ucm.es. Thu . "ACCURATE TIME-DEPENDENT WAVE PACKET STUDY OF THE H{sup +}+LiH REACTION AT EARLY UNIVERSE CONDITIONS". United States. doi:10.1088/0004-637X/759/1/31.
@article{osti_22086474,
title = {ACCURATE TIME-DEPENDENT WAVE PACKET STUDY OF THE H{sup +}+LiH REACTION AT EARLY UNIVERSE CONDITIONS},
author = {Aslan, E. and Bulut, N. and Castillo, J. F. and Banares, L. and Aoiz, F. J. and Roncero, O., E-mail: jfernand@quim.ucm.es},
abstractNote = {The dynamics and kinetics of the H{sup +} + LiH reaction have been studied using a quantum reactive time-dependent wave packet (TDWP) coupled-channel quantum mechanical method on an ab initio potential energy surface at conditions of the early universe. The total reaction probabilities for the H{sup +} + LiH(v = 0, j = 0) {yields} H{sup +} {sub 2} + Li process have been calculated from 5 Multiplication-Sign 10{sup -3} eV up to 1 eV for total angular momenta J from 0 to 110. Using a Langevin model, integral cross sections have been calculated in that range of collision energies and extrapolated for energies below 5 Multiplication-Sign 10{sup -3} eV. The calculated rate constants are found to be nearly independent of temperature in the 10-1000 K interval with a value of Almost-Equal-To 10{sup -9} cm{sup 3} s{sup -1}, which is in good agreement with estimates used in evolutionary models of the early universe lithium chemistry.},
doi = {10.1088/0004-637X/759/1/31},
journal = {Astrophysical Journal},
issn = {0004-637X},
number = 1,
volume = 759,
place = {United States},
year = {2012},
month = {11}
}