ANALYTICAL POTENTIAL CURVES FOR THE X1-SIGMA+ AND 0+ STATES OF NAI

被引:14
作者
WANG, J
BLAKE, AJ
MCCOY, DG
TOROP, L
机构
[1] Department of Physics and Mathematical Physics, University of Adelaide, Adelaide, SA 5001
关键词
D O I
10.1016/0009-2614(90)85547-P
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 potentials for the X 1Σ+ and 0+ states of NaI are determined in analytical form by a numerical optimization procedure. The accuracy of the optimum potentials is demonstrated by direct comparison of the calculated term energies and rotational constants with the measured values, as well as by assessment of the consistency with other experimental information about the 0+ state. © 1990.
引用
收藏
页码:225 / 230
页数:6
相关论文
共 18 条
[1]   INTERACTION OF VIBRATIONAL AND ELECTRONIC MOTION IN ALKALI HALIDE MOLECULES [J].
BERRY, RS .
JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (06) :1288-1295
[2]  
CHILD MS, 1974, SPECIALIST PERIODICA, V2
[3]  
Cooley J. W., 1961, MATH COMPUT, V15, P363, DOI [10.2307/2003025, DOI 10.2307/2003025]
[4]  
DELVIGNE GA, 1973, PHYSICA, V67, P166, DOI 10.1016/0031-8914(73)90029-3
[5]   A QUANTUM-MECHANICAL STUDY OF PREDISSOCIATION DYNAMICS OF NAL EXCITED BY A FEMTOSECOND LASER-PULSE [J].
ENGEL, V ;
METIU, H .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (11) :6116-6128
[6]   COLLISIONAL IONIZATION AND ELASTIC-SCATTERING IN ALKALI-HALOGEN ATOM COLLISIONS [J].
FAIST, MB ;
LEVINE, RD .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (07) :2953-2970
[7]   LONG-RANGE CONFIGURATION INTERACTION OF IONIC AND COVALENT STATES [J].
GRICE, R ;
HERSCHBACH, DR .
MOLECULAR PHYSICS, 1974, 27 (01) :159-175
[8]   EXPERIMENTAL POTENTIAL FUNCTIONS FOR OPEN AND CLOSED SHELL MOLECULAR-IONS - ADIABATIC AND NONADIABATIC CORRECTIONS IN CHI-3-SIGMA- OH+ AND CHI-1-SIGMA+ ARH+ [J].
GRUEBELE, M ;
KEIM, E ;
STEIN, A ;
SAYKALLY, RJ .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1988, 131 (02) :343-366
[9]  
HEAD JD, 1989, ADV QUANTUM CHEM, V20, P239
[10]  
HIMMELBAU DM, 1972, APPLIED NONLINEAR PR