Electric multipole moments of some diatomic molecules Molecules

M. Özgür SEZER; Ayhan ÖZMEN; And Hüseyin YÜKSEL

Article Details

Electric multipole moments of some diatomic molecules Molecules

Authors:

M. Özgür SEZER | Ayhan ÖZMEN | And Hüseyin YÜKSEL

Publisher:

TUBITAK

Journal:

Turkish Journal of Physics 2009 Vol.33 Issue 3, pp.121-128

Document Type:

Article

Publication Date:

2/2009

Document Language:

Turkish

Document ID (Org No.):

2000760799

Frequency:

Bimonthly

eISSN:

1303-6122

pISSN:

1300-0101

Keywords:

Abstract:

 

Molecular Electric Multipole Moment (MEMM) integrals have  been derived for diatomic molecular systems, and then some lower  multipole moments as dipole moments and quadrupole moments have been  calculated for some diatomic molecules.  The calculations have been  performed by using our analytical formula over Slater-Type orbitals  (STOs) with Cade and Huo's basis sets and the GAMESS program package  working with Gaussian-Type basis sets (GTOs).  The expressions which  involve factorials are given in terms of binomial coefficients in  order to speed up calculations.  The results have been obtained in  agreement with data found in the literature.

 

Molecular Electric Multipole Moment (MEMM) integrals have  been derived for diatomic molecular systems, and then some lower  multipole moments as dipole moments and quadrupole moments have been  calculated for some diatomic molecules.  The calculations have been  performed by using our analytical formula over Slater-Type orbitals  (STOs) with Cade and Huo's basis sets and the GAMESS program package  working with Gaussian-Type basis sets (GTOs).  The expressions which  involve factorials are given in terms of binomial coefficients in  order to speed up calculations.  The results have been obtained in  agreement with data found in the literature.

Article Details

Electric multipole moments of some diatomic molecules Molecules

Authors:

M. Özgür SEZER | Ayhan ÖZMEN | And Hüseyin YÜKSEL

Publisher:

TUBITAK

Journal:

Turkish Journal of Physics 2009 Vol.33 Issue 3, pp.121-128

Document Type:

Article

Publication Date:

2/2009

Document Language:

Turkish

Document ID (Org No.):

2000760799

Frequency:

Bimonthly

eISSN:

1303-6122

pISSN:

1300-0101

Multipole moments

quadrupole moments

dipole moments

Slater-type orbitals

Issues

Article Details

Electric multipole moments of some diatomic molecules Molecules

Authors: M. Özgür SEZER | Ayhan ÖZMEN | And Hüseyin YÜKSEL

Publisher: TUBITAK

Journal: Turkish Journal of Physics 2009 Vol.33 Issue 3, pp.121-128

Document Type: Article

Publication Date: 2/2009

Document Language: Turkish

Document ID (Org No.): 2000760799

Frequency: Bimonthly

eISSN: 1303-6122

pISSN: 1300-0101

Multipole moments

quadrupole moments

dipole moments

Slater-type orbitals

Issues

Authors:

M. Özgür SEZER | Ayhan ÖZMEN | And Hüseyin YÜKSEL

Publisher:

TUBITAK

Journal:

Turkish Journal of Physics 2009 Vol.33 Issue 3, pp.121-128

Document Type:

Article

Publication Date:

2/2009

Document Language:

Turkish

Document ID (Org No.):

2000760799

Frequency:

Bimonthly

eISSN:

1303-6122

pISSN:

1300-0101