Modeling molecular interactions by analytic potentials: Analytic perturbation treatment


  • Faithfully dedicated to Ilya Kaplan on the occasion of his 80th birthday.


One of the chief concepts of molecular interactions is the concept of the molecular potential. This work focuses on the class of so-called spiked potentials. It is analytically demonstrated that despite the common belief that the traditional perturbation theory is not applicable to study the class of potentials combining the harmonic oscillator with a singular potential of the type λr−α, this work aims to propose and develop such treatment on the basis of the appropriate choice of the zero-order exactly solvable Hamiltonian Ho = −( equation image/(2m))∇math image + U2 where U2(r) = αr2 + β/r−2. © 2012 Wiley Periodicals, Inc.