linear molecules;
acetylene;
kinetic energy operator;
nonorthogonal coordinates;
polyspherical coordinates;
SPHERICAL POLAR PARAMETRIZATION;
GENERAL POLYATOMIC-MOLECULES;
ROVIBRATIONAL HAMILTONIANS;
ACETYLENE;
D O I:
10.1134/S1024856023060155
中图分类号:
O43 [光学];
学科分类号:
070207 ;
0803 ;
摘要:
The form of the vibrational-rotational operator of kinetic energy for linear symmetric molecules of the A(2)B(2) type in polyspherical nonorthogonal internal coordinates (bond lengths and angles between bonds) is obtained. Nonorthogonal coordinates have advantages in calculating the wave functions of heavy linear molecules, for example, C2F2 and C2Cl2; they also simplify the calculation of the intensity of vibrational-rotational spectral lines of molecules belonging to this type. This work is a continuation of work [1], in which the form of the kinetic energy operator in orthogonal coordinates was obtained. To verify the expressions derived, the lower vibrational-rotational energy levels of the acetylene molecule are calculated.
机构:
UCL, Dept Phys & Astron, London WC1E 6BT, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Chubb, Katy L.
;
Joseph, Megan
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机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Joseph, Megan
;
Franklin, Jack
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机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Franklin, Jack
;
Choudhury, Naail
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机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Choudhury, Naail
;
Furtenbacher, Tibor
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机构:
Eotvos Lorand Univ, Inst Chem, H-1518 Budapest 112, Hungary
MTA ELTE Complex Chem Syst Res Grp, H-1518 Budapest 112, HungaryUCL, Dept Phys & Astron, London WC1E 6BT, England
Furtenbacher, Tibor
;
Csaszar, Attila G.
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h-index: 0
机构:
Eotvos Lorand Univ, Inst Chem, H-1518 Budapest 112, Hungary
MTA ELTE Complex Chem Syst Res Grp, H-1518 Budapest 112, HungaryUCL, Dept Phys & Astron, London WC1E 6BT, England
Csaszar, Attila G.
;
Gaspard, Glenda
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h-index: 0
机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Gaspard, Glenda
;
Oguoko, Patari
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机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Oguoko, Patari
;
Kelly, Adam
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h-index: 0
机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Kelly, Adam
;
Yurchenko, Sergei N.
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h-index: 0
机构:
UCL, Dept Phys & Astron, London WC1E 6BT, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Yurchenko, Sergei N.
;
Tennyson, Jonathan
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h-index: 0
机构:
UCL, Dept Phys & Astron, London WC1E 6BT, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Tennyson, Jonathan
;
Sousa-Silva, Clara
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h-index: 0
机构:
UCL, Dept Phys & Astron, London WC1E 6BT, England
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, England
MIT, Dept Earth Atmospher & Planetary Sci, 77 Massachusetts Ave, Cambridge, MA 02139 USAUCL, Dept Phys & Astron, London WC1E 6BT, England
机构:
UCL, Dept Phys & Astron, London WC1E 6BT, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Chubb, Katy L.
;
Joseph, Megan
论文数: 0引用数: 0
h-index: 0
机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Joseph, Megan
;
Franklin, Jack
论文数: 0引用数: 0
h-index: 0
机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Franklin, Jack
;
Choudhury, Naail
论文数: 0引用数: 0
h-index: 0
机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Choudhury, Naail
;
Furtenbacher, Tibor
论文数: 0引用数: 0
h-index: 0
机构:
Eotvos Lorand Univ, Inst Chem, H-1518 Budapest 112, Hungary
MTA ELTE Complex Chem Syst Res Grp, H-1518 Budapest 112, HungaryUCL, Dept Phys & Astron, London WC1E 6BT, England
Furtenbacher, Tibor
;
Csaszar, Attila G.
论文数: 0引用数: 0
h-index: 0
机构:
Eotvos Lorand Univ, Inst Chem, H-1518 Budapest 112, Hungary
MTA ELTE Complex Chem Syst Res Grp, H-1518 Budapest 112, HungaryUCL, Dept Phys & Astron, London WC1E 6BT, England
Csaszar, Attila G.
;
Gaspard, Glenda
论文数: 0引用数: 0
h-index: 0
机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Gaspard, Glenda
;
Oguoko, Patari
论文数: 0引用数: 0
h-index: 0
机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Oguoko, Patari
;
Kelly, Adam
论文数: 0引用数: 0
h-index: 0
机构:
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Kelly, Adam
;
Yurchenko, Sergei N.
论文数: 0引用数: 0
h-index: 0
机构:
UCL, Dept Phys & Astron, London WC1E 6BT, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Yurchenko, Sergei N.
;
Tennyson, Jonathan
论文数: 0引用数: 0
h-index: 0
机构:
UCL, Dept Phys & Astron, London WC1E 6BT, EnglandUCL, Dept Phys & Astron, London WC1E 6BT, England
Tennyson, Jonathan
;
Sousa-Silva, Clara
论文数: 0引用数: 0
h-index: 0
机构:
UCL, Dept Phys & Astron, London WC1E 6BT, England
Highams Pk Sch, Handsworth Ave,Highams Pk, London E4 9PJ, England
MIT, Dept Earth Atmospher & Planetary Sci, 77 Massachusetts Ave, Cambridge, MA 02139 USAUCL, Dept Phys & Astron, London WC1E 6BT, England