RELATIVISTIC AB-INITIO EFFECTIVE CORE POTENTIALS

Thumbnail Image

Files

1977-RB-07.jpg (69.26 KB)

Date

1977

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

A method is developed for obtaining ab-initio effective core potentials which include dominant relativistic effects. These effective core potentials enable one to eliminate the core electrons from structure calculations on molecules consisting of heavy atoms, such as the lanthanides and actinides, in which relativistic effects are important. Results are presented for uranium.

Description

Author Institution: Battelle Columbus Laboratories, 505 King Avenue; Los Alamos Scientific Laboratory, 505 King Avenue

Keywords

Citation

URI

http://hdl.handle.net/1811/10094

Collections

Abstracts of OSU International Symposium on Molecular Spectroscopy 1970-1979