TIME DEPENDENT WAVE PACKET CALCULATIONS AT STATE-TO-STATE LEVEL: Li+H2+ EXAMPLE

Emine ASLAN; Niyazi BULUT

Article Details

TIME DEPENDENT WAVE PACKET CALCULATIONS AT STATE-TO-STATE LEVEL: Li+H2+ EXAMPLE

Authors:

Emine ASLAN | Niyazi BULUT

Publisher:

E-Journal of New World Sciences Academy

Journal:

Physical Sciences 2012 Vol.7 Issue 1, pp.19-27

Document Type:

Article

Publication Date:

1/2012

Document Language:

Turkish

Document ID (Org No.):

2000830993

Frequency:

Quarterly

eISSN:

1308-7304

Keywords:

Abstract:

 

Bu çaly?mada, Martinazzo ve di?erleri tarafyndan [1] hesaplanan bir ab initio potansiyel enerji yüzeyi üzerinde  Li+H2+  ve izotoplary için kuantum mekaniksel dalga paketi metodu kullanylarak reaksiyon ihtimaliyetleri ve titre?im-dönme da?ylymlary için integral tesir kesitleri sabit çarpy?ma enerjilerinde elde edildi.

 

In this work, the dynamics and kinetics of the Li+H2+  reaction and its isotopic variance have been studied by means of quantum mechanical (QM) real wave packet method on the ab initio potential energy surface of Martinazzo et al.[1]. Initial state selected reaction probabilities and ro-vibrational distributions integral cross section at fix collision energies are obtained.

Article Details

TIME DEPENDENT WAVE PACKET CALCULATIONS AT STATE-TO-STATE LEVEL: Li+H2+ EXAMPLE

Authors:

Emine ASLAN | Niyazi BULUT

Publisher:

E-Journal of New World Sciences Academy

Journal:

Physical Sciences 2012 Vol.7 Issue 1, pp.19-27

Document Type:

Article

Publication Date:

1/2012

Document Language:

Turkish

Document ID (Org No.):

2000830993

Frequency:

Quarterly

eISSN:

1308-7304

REACTION DYNAMICS

REACTIVE SCATTERING

REACTION PROBABILITY

CROSS SECTION

WAVE PACKET

Issues

Article Details

TIME DEPENDENT WAVE PACKET CALCULATIONS AT STATE-TO-STATE LEVEL: Li+H2+ EXAMPLE

Authors: Emine ASLAN | Niyazi BULUT

Publisher: E-Journal of New World Sciences Academy

Journal: Physical Sciences 2012 Vol.7 Issue 1, pp.19-27

Document Type: Article

Publication Date: 1/2012

Document Language: Turkish

Document ID (Org No.): 2000830993

Frequency: Quarterly

eISSN: 1308-7304

REACTION DYNAMICS

REACTIVE SCATTERING

REACTION PROBABILITY

CROSS SECTION

WAVE PACKET

Issues

Authors:

Emine ASLAN | Niyazi BULUT

Publisher:

E-Journal of New World Sciences Academy

Journal:

Physical Sciences 2012 Vol.7 Issue 1, pp.19-27

Document Type:

Article

Publication Date:

1/2012

Document Language:

Turkish

Document ID (Org No.):

2000830993

Frequency:

Quarterly

eISSN:

1308-7304