# 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:

- Department of Physics, Firat University, 23169 Elazig (Turkey)
- Departamento de Quimica Fisica I, Facultad de Ciencias Quimicas (Unidad Asociada CSIC), Universidad Complutense de Madrid, 28040 Madrid (Spain)
- 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}

}