Vibrational distributions in N2 with an improved calculation of energy levels using the RKR method

被引：48

作者：

da Silva, M. Lino ^{[1
]}

Guerra, V. ^{[1
]}

Loureiro, J. ^{[1
]}

Sa, P. A. ^{[1
,2
]}

机构：

[1] Inst Super Tecn, Inst Plasma & Fusao Nucl, P-1049001 Lisbon, Portugal

[2] Univ Porto, Fac Engn, Dept Engn Fis, P-4200465 Oporto, Portugal

来源：

CHEMICAL PHYSICS | 2008年 / 348卷 / 1-3期

关键词：

nitrogen; vibrational energy distributions; RKR method; gas discharges;

D O I：

10.1016/j.chemphys.2008.02.048

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The potential curve of the N-2 ground state (X-1 Sigma(+)(g)) has been accurately reconstructed using the Rydberg-Klein-Rees (RKR) method extrapolated by a Hulburt and Hirschfelder potential for longer internuclear distances. Solving the corresponding radial Schrodinger equation yields 60 bound levels above v = 0, whose energies may be fitted by the following polynomial expansion: G(nu) = Sigma(5)(i=1)a(i)(nu + 1/2)(i), with the coefficients a(i) in cm(-1) equal to 2378.1, -18.516, 0.26662, -6.2127 x 10(-3), and 3.4215 x 10(-5), respectively, for i = 1-5. The effects of considering this more accurate potential on the vibrational distribution function of N-2(X,nu) molecules obtained in nitrogen microwave discharges and post-discharges are compared with previous calculations, using a smaller vibrational manifold. (c) 2008 Elsevier B.V. All rights reserved.

引用

页码：187 / 194

页数：8

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