Curious properties of the Morse oscillator

被引:14
作者
McCoy, Anne B. [1 ]
机构
[1] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
基金
美国国家科学基金会;
关键词
POTENTIAL-ENERGY FUNCTIONS; DIATOMIC-MOLECULES; STATE; OPERATORS;
D O I
10.1016/j.cplett.2010.11.065
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
Analytical solutions for the Morse oscillator are used to evaluate < V >(n) and < T >(n). For all bound states < V >(n) = h omega e/2 (n + 1/2). This result is identical to the result that is obtained for the harmonic oscillator with the same quadratic force constant. Consequently, all of the anharmonicity in the energy of the quantum states of a Morse oscillator is incorporated in < T >(n). This finding is tested for realistic diatomic potential functions for Ar-Xe, Be(2) and the E- state of Li(2). Analysis of < V >(n)/(n + 1/2) for these systems shows that this quantity is well approximated by omega(e)/2 over large ranges of n. Implications of this result to polyatomic systems and for vibration to translation collisional energy transfer are discussed. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码:603 / 607
页数:5
相关论文
共 24 条
[21]   THEORETICAL-STUDIES OF VIBRATIONALLY EXCITED POLYATOMIC-MOLECULES USING CANONICAL VANVLECK PERTURBATION-THEORY [J].
SIBERT, EL .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07) :4378-4390
[22]   The van der Waals potentials between all the rare gas atoms from He to Rn [J].
Tang, KT ;
Toennies, JP .
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (11) :4976-4983
[23]  
TERHAAR D, 1946, PHYS REV, V70, P222
[24]   COMPARATIVE STUDY OF POTENTIAL ENERGY FUNCTIONS FOR DIATOMIC MOLECULES [J].
VARSHNI, YP .
REVIEWS OF MODERN PHYSICS, 1957, 29 (04) :664-682