PADE-APPROXIMANT REPRESENTATION AND IMPROVEMENT OF EMPIRICAL POTENTIALS OF DIATOMIC-MOLECULES

被引：15

作者：

JORISH, VS

SHCHERBAK, NB

机构：

[1] Chemical Thermodynamics Department, Institute for High Temperature, USSR Academy of Sciences

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 67卷 / 01期

关键词：

D O I：

10.1016/0009-2614(79)87128-6

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：

A morse potential is used as a test to check up the accuracy of the two-point Pad{approaches the limit}-approximant (PA) representation for the potential curves of diatomic molecules. An exact PA representation of the Mg2 potential is obtained. © 1979.

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页码：160 / 164

页数：5

相关论文

共 15 条

[1]

Baker G. A., 1975, ESSENTIAL PADE APPRO

[2] ADSORPTION SPECTRUM OF MG2 MOLECULE [J].

BALFOUR, WJ ;

DOUGLAS, AE .

CANADIAN JOURNAL OF PHYSICS, 1970, 48 (07) :901-&

[3] MG2 POTENTIAL - CURVE FITTING STUDY [J].

BRETT, AC ;

CHAN, C .

CANADIAN JOURNAL OF PHYSICS, 1972, 50 (13) :1587-&

[4] The energy levels of a rotating vibrator [J].

Dunham, JL .

PHYSICAL REVIEW, 1932, 41 (06) :721-731

[5]

Hirschfelder J. O., 1964, MOL THEORY GASES LIQ

[6] USE OF PADE APPROXIMANTS IN CONSTRUCTION OF DIABATIC POTENTIAL-ENERGY CURVES FOR IONIC MOLECULES [J].

JORDAN, KD ;

KINSEY, JL ;

SILBEY, R .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :911-917

[7] VIBRATIONAL LEVELS NEAR DISSOCIATION IN MG2 AND LONG-RANGE FORCES [J].

LI, KC ;

STWALLEY, WC .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (08) :4423-4427

[8] HYBRID POTENTIALS FOR 1SIGMA+G STATE OF MG2 [J].

MUHLHAUSEN, CW ;

KONOWALOW, DD .

CHEMICAL PHYSICS, 1975, 7 (01) :143-149

[9] DISCRETE AND CONTINUOUS FRANCK CONDON FACTORS OF MG2 A-1(EPSILON-U+)-X-1(EPSILON-G+) SYSTEM AND THEIR J DEPENDENCE [J].

SCHEINGRABER, H ;

VIDAL, CR .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (08) :3694-3704

[10]

SIMONS G, 1973, J CHEM PHYS, V59, P3229, DOI 10.1063/1.1680464