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Physical Measurement Laboratory

Atomic Reference Data for Electronic Structure Calculations Version History

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Example of how to reference this online database: (Replace year, month day with database access date.)
Kotochigova, S., Levine, Z.H., Shirley, E.L., Stiles, M.D., and Clark, C.W. (2003), Atomic Reference Data for Electronic Structure Calculations (version 1.3). [Online] Available: http://physics.nist.gov/DFTdata [year, month day]. National Institute of Standards and Technology, Gaithersburg, MD.
Optional addition: Kotochigova, S., Levine, Z.H., Shirley, E.L., Stiles, M.D., and Clark, C.W. Local-density functional calculations of the energy of atoms, Phys. Rev. A 55, 191 (1997); erratum 56, 5191 (1997).
Citation Form:
Author/editor (Year), Title (edition). [Type of medium] Available: URL [Access date].
Version 1.6
March 2009		 A correction was made to equation 35.
Version 1.5
January 2009		 A section was added to Chapter 2 to address the value of the inverse fine-structure constant.
Version 1.4
March 2005		 Table for 62Sm (column 5, samarium) was corrected. All tables are now available in HTML table format and ASCII text format.
Version 1.3
April 2003		 Improvements were made to meet accessibility requirements.
Version 1.2
April 2001		 The ASCII LaTeX source for each equation image has been made available in order to meet accessibility requirements.
Version 1.1
April 1999		 The text has been reformatted with a navigation bar at the bottom of each page. Equations have been converted to a larger font, and a few corrections were made.
Version 1.0
July 1996		 This document originally appeared as http://math.nist.gov/DFTdata/.
Earlier Work S. Kotochigova, Z.H. Levine, E.L. Shirley, M.D. Stiles, and C.W. Clark
"Local-density functional calculations of the energy of atoms"
Phys. Rev. A 55, 191 (1997); erratum 56, 5191 (1997).

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Created September 18, 2009, Updated January 9, 2024