Electric multipole moments of some diatomic molecules Molecules

M. Özgür SEZER; Ayhan ÖZMEN; And Hüseyin YÜKSEL

Makale detayları

Electric multipole moments of some diatomic molecules Molecules

Yazarlar:

M. Özgür SEZER | Ayhan ÖZMEN | And Hüseyin YÜKSEL

Yayıncı:

TUBITAK

Dergi:

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

Belge Tipi:

Makale

Yayın Tarihi:

2/2009

Belge Dili:

Türkçe

Document ID (Org No.):

2000760799

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101

Anahtar kelimeler:

Özet:

 

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.

Makale detayları

Electric multipole moments of some diatomic molecules Molecules

Yazarlar:

M. Özgür SEZER | Ayhan ÖZMEN | And Hüseyin YÜKSEL

Yayıncı:

TUBITAK

Dergi:

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

Belge Tipi:

Makale

Yayın Tarihi:

2/2009

Belge Dili:

Türkçe

Document ID (Org No.):

2000760799

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101

Multipole moments

quadrupole moments

dipole moments

Slater-type orbitals

Sayı

Makale detayları

Electric multipole moments of some diatomic molecules Molecules

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

Yayıncı: TUBITAK

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

Belge Tipi: Makale

Yayın Tarihi: 2/2009

Belge Dili: Türkçe

Document ID (Org No.): 2000760799

Sıklık: İki Aylık

eISSN: 1303-6122

pISSN: 1300-0101

Multipole moments

quadrupole moments

dipole moments

Slater-type orbitals

Sayı

Yazarlar:

M. Özgür SEZER | Ayhan ÖZMEN | And Hüseyin YÜKSEL

Yayıncı:

TUBITAK

Dergi:

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

Belge Tipi:

Makale

Yayın Tarihi:

2/2009

Belge Dili:

Türkçe

Document ID (Org No.):

2000760799

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101