Energy spectrum design and potential function engineering

نویسندگان

چکیده

По выбранной ортогональной последовательности полиномов $\{p_n(s)\}_{n=0}^{\infty}$, которая имеет дискретный спектр, строится энергетический спектр $E_k=f(s_k)$, где $\{s_k\}$ - точки конечного или бесконечного дискретного спектра полиномов. С помощью подхода к квантовой механике, который основан не на функциях потенциала, а ортогональных полиномах, зависящих от энергии, построена локальная численная реализация отвечающая выбранному энергетическому спектру. В качестве примера рассмотрены трехпараметрические непрерывные дуальные полиномы Хана. Приведены точные аналитические выражения для соответствующего энергетического связанных состояний, сдвига фазы состояний рассеяния и волновых функций. Однако функция потенциала заданного набора физических параметров получается только численно.

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A New Modification of Morse Potential Energy Function

Interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to TSPP)with Na+ has been examined using HF level of theory with 6-31G* basis set. Counterpoise (CP)correction has been used to show the extent of the basis set superposition error (BSSE) on thepotential energy curves. The numbers of Na+ have a significant effect on the calculated potentialenergy curve (includ...

متن کامل

Energy terms in potential function

where r is the distance between covalently bonded atoms , a is the corresponding equilibrium distance, and ka is the spring constant. The equilibrium distance between atoms can be obtained from X-ray diffraction experiments or using ab initio quantum calculations. The spring constant can be determined using the results of infrared adsorption and Raman spectroscopy. The frequency of bond length ...

متن کامل

The Polypeptide Model and Potential Energy Function

Proteins require specific three-dimensional conformations to function properly. These “native” conformations result primarily from intramolecular interactions between the atoms in the macromolecule, and also intermolecular interactions between the macromolecule and the surrounding solvent. Although the folding process can be quite complex, the instructions guiding this process are specified by ...

متن کامل

Geometric Nonlinearity : Potential Energy , Complementary Energy , and the Gap Function

Dual minimum principles for displacements and stresses are well established for linear variational problems and also for nonlinear (and monotone) constitutive laws. This paper studies the problem of geometric nonlinearity. By introducing a gap function, we recover complementary variational principles in the equilibrium problems of mathematical physics. When the gap function is nonnegative those...

متن کامل

compactifications and function spaces on weighted semigruops

chapter one is devoted to a moderate discussion on preliminaries, according to our requirements. chapter two which is based on our work in (24) is devoted introducting weighted semigroups (s, w), and studying some famous function spaces on them, especially the relations between go (s, w) and other function speces are invesigated. in fact this chapter is a complement to (32). one of the main fea...

15 صفحه اول

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: ????????????? ? ?????????????? ??????

سال: 2023

ISSN: ['0564-6162', '2305-3135']

DOI: https://doi.org/10.4213/tmf10485