ANALYTICAL TREATMENT OF THE QUADRATIC AND NONRELATIVISTIC RENNER-TELLER EFFECT FOR A TRIATOMIC MOLECULE IN A PI-ELECTRONIC STATE .1. HIGH-ENERGY LIMIT

被引:4
作者
AGUILAR, A [1 ]
GONZALEZ, M [1 ]
POLUYANOV, LV [1 ]
机构
[1] ACAD SCI,INST CHEM PHYS,CHERNOGOLOVKA 142432,USSR
关键词
D O I
10.1080/00268979200102391
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
This work presents the first analytical approach to the Renner-Teller effect from a quantal viewpoint, and deals with a linear triatomic molecule in a PI electronic state within the harmonic oscillator approach, ignoring the spin-orbit coupling. A proper integral transformation permits us to obtain from this 2-dimensional and two-channel vibronic problem a second order ordinary differential equation in the complex plane that is very useful for analytical work. For large energies this equation is of the singular perturbation type and has been solved by means of the matched asymptotic expansions method. The energy splittings at the Fermi resonance points were then determined and, taking into account earlier semiclassical results, it has also been possible to formulate a reasonably good quantization condition for the vibronic energy levels.
引用
收藏
页码:193 / 207
页数:15
相关论文
共 15 条
[1]   RENNER EFFECT IN A BENT TRIATOMIC MOLECULE EXECUTING A LARGE-AMPLITUDE BENDING VIBRATION [J].
BARROW, T ;
DIXON, RN ;
DUXBURY, G .
MOLECULAR PHYSICS, 1974, 27 (05) :1217-1234
[2]  
BROWN JM, 1983, ADV CHEM PHYS, V52, P117
[3]   A VARIATIONAL METHOD FOR THE CALCULATION OF SPIN ROVIBRONIC LEVELS OF RENNER-TELLER TRIATOMIC-MOLECULES [J].
CARTER, S ;
HANDY, NC ;
ROSMUS, P ;
CHAMBAUD, G .
MOLECULAR PHYSICS, 1990, 71 (03) :605-622
[4]   THE RENNER EFFECT IN A BENT TRIATOMIC MOLECULE USING THE ADIABATIC APPROACH [J].
DUXBURY, G ;
DIXON, RN .
MOLECULAR PHYSICS, 1981, 43 (02) :255-274
[5]  
Fedoryuk M. V., 1987, ASYMPTOTICS INTEGRAL
[6]  
Gradshteyn I., 2015, TABLES INTEGRALS SER, V7th
[7]  
HERZBERG G, 1966, ELECTRONIC SPECTRA E
[9]  
Longuet-Higgins H.C., 1961, ADV SPECTROSC, V2, P429
[10]   NON-ADIABATIC TRANSITIONS BETWEEN THE ELECTRONIC TERMS OF IDENTICAL SYMMETRY IN MOLECULAR-SYSTEMS [J].
OSHEROV, VI ;
USHAKOV, VG ;
VORONIN, AI .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1980, 13 (08) :1507-1517