TY - JOUR
ID - 10.1088/1674-0068/14/4/403-413
TI - Algebraic Recursion Formulas for Perturbation Calculationof Energy Levels and Wave Functions in Potential Wells
AU - She Shouxian
AU - Wu Liu
AU - Wang Jian and Zhang Sijiong
VL - 14
IS - 4
PB -
SP - 403
EP - 413
PY -
JF - Chinese Journal Of Chemical Physics
JA -
UR - http://cjcp.ustc.edu.cn/hxwlxb_en/ch/reader/view_abstract.aspx?file_no=20010404&flag=1
KW - 能级; 波函数; 微扰方法; 代数递推公式
KW - Energy levels
KW - Wave function
KW - Perturbation theory
KW - Algebraic recursion formulas
AB - Using hypervirial theorem (HVT) and Hellmann-Feynman theorem (HFT), perturbation calculation of successive order approximate values of energy levels in a potential well with power series expansion of the potential energy are processed. Algebraic recursion formulas for calculating energy levels are deduced. We use the exact energy levels for parabolic potential well (one dimensional harmonic oscillator) as zero order approximation, and derive algebraic formulas for successive order approximate energy levels for given potential energy function. The corresponding wave functions can then be written as polynomials in which coefficients are expressed in terms of the energy levels and coefficients in the power series of potential energy. In this way, tedious and cumbersome perturbation calculations in Rayleigh-Schr dinger perturbation method are avoided. Thus the present method is simple, efficient and time saving. Typical examples are illustrated with the algebraic formulas, including: energy levels for Gaussian potential well; for modified P schel-Teller well; potential wells for anharmonic oscillators; Morse potential for vibrational energy levels of diatomic molecules and modified Morse potential for vibrational-rotational energy levels. Formulas for calculation of wave functions corresponding to calculated energy levels are given for anharmonic oscillators and for symmetric potential energy functions. The present method can be extended to two or three dimensional potential well, and can also be used in other mathematically analogous eigenvalue problem
ER -