Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

The OCEAN Project

Published

Author(s)

Eric L. Shirley, John T. Vinson, Keith Gilmore

Abstract

This chapter presents a high-level description of a suite of programs denoted by the acronym OCEAN (Obtaining Core Excitation spectra ab initio and with NBSE), where NBSE denotes the underlying NIST Bethe-Salpeter Equation program. The main computational steps, physical approximations made and overall scope of the required user input are discussed. Several examples of calculation results are presented for a variety of systems. We also discuss future improvements and extensions that are being considered at this time, and discuss how to access the program and its extensive documentation.
Citation
International Tables for Crystallography: Volume I, X-ray Absorption Spectroscopy and Related Techniques
Publisher Info
International Union of Crystallography, Chester,

Keywords

Bethe-Salpeter equation, core excitation, near-edge, non-resonant inelastic x-ray scattering, OCEAN, resonant inelastic x-ray scattering, x-ray absorption

Citation

, E. , Vinson, J. and Gilmore, K. (2021), The OCEAN Project, International Tables for Crystallography: Volume I, X-ray Absorption Spectroscopy and Related Techniques, International Union of Crystallography, Chester, , [online], https://doi.org/10.1107/S157487072000333X, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=921289 (Accessed September 22, 2021)
Created March 10, 2021, Updated April 6, 2021