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.
International Tables for Crystallography: Volume I, X-ray Absorption Spectroscopy and Related Techniques
, Vinson, J.
and Gilmore, K.
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)