The Library of Subroutines for Calculation of Matrix Elements of Two–particle Operators for Many–Electron Atoms

نویسنده

  • Gediminas Gaigalas
چکیده

In this paper a library for spin–angular integration in LS–coupling for many–electron atoms is presented. The software is an implementation of a methodology based on the second quantization in coupled tensorial form, the angular momentum theory in 3 spaces (orbital, spin and quasispin), and the graphical technique of angular momentum. This implementation extends applications of the relevant methodology to open f– shells and leads to faster execution of angular integration codes. The possibility of using some library routines for solving various angular momentum problems in atomic physics is also discussed. PACS: 31.15.Ne, 31.25.-v, 32.10.-f, 32.30.-r

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

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The library of subroutines for calculating standard quantities in atomic structure theory

This library (collection of subroutines) is presented for calculating standard quantities in the decomposition of many–electron matrix elements in atomic structure theory. These quantities include the coefficients of fractional parentage, the reduced coefficients of fractional parentage as well as reduced and completely reduced matrix elements for several operators. So the library is assigned f...

متن کامل

A NUMERICAL RENORMALIZATION GROUP APPROACH FOR AN ELECTRON-PHONON INTERACTION

A finite chain calculation in terms of Hubbard X-operators is explored by setting up a vibronic Harniltonian. The model conveniently transformed into a form so that in the case of strong coupling a numerical renormalization group approach is applicable. To test the technique, a one particle Green function is calculated for the model Harniltonian

متن کامل

Electrical and optical properties of a small capped (5, 0) zigzag Carbon nanotube by B, N, Ge and Sn atoms: DFT theoretical calculation

In this study we investigate the effect of atoms such as B, N, Ge and Sn on the optical and the electrical properties of capped (5, 0) zigzag carbon nanotube, using DFT calculation method. These elements were attached to the one end of the carbon nanotube. We considered four different structure designs as possible candidates for a p-n junction device. The electrical properties of these structur...

متن کامل

Calculation of the total cross section for the ionization of H, He, Ne and Ar atoms by bare ions at the high energy range

In the present work, the total cross-section for the ionization of  H, He, Ne and Ar atoms by +He2+ ، H+ ، Li3 ions has been calculated. In these calculations, a binary encounter approximation in the form of a two-body process between projectile ions and atomic electrons at the high energy range has been implemented. In order to enter the nuclear role of the target atom, the atomic electron vel...

متن کامل

Electrical and optical properties of a small capped (5, 0) zigzag Carbon nanotube by B, N, Ge and Sn atoms: DFT theoretical calculation

In this study we investigate the effect of atoms such as B, N, Ge and Sn on the optical and the electrical properties of capped (5, 0) zigzag carbon nanotube, using DFT calculation method. These elements were attached to the one end of the carbon nanotube. We considered four different structure designs as possible candidates for a p-n junction device. The electrical properties of these structur...

متن کامل

ذخیره در منابع من


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

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

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2002