Spinorbit decomposition of ab initio nuclear wave functions
 Authors:
 Publication Date:
 Sponsoring Org.:
 USDOE
 OSTI Identifier:
 1180483
 Grant/Contract Number:
 FG0296ER40985
 Resource Type:
 Journal Article: Publisher's Accepted Manuscript
 Journal Name:
 Physical Review C
 Additional Journal Information:
 Journal Volume: 91; Journal Issue: 3; Journal ID: ISSN 05562813
 Publisher:
 American Physical Society
 Country of Publication:
 United States
 Language:
 English
Citation Formats
Johnson, Calvin W. Spinorbit decomposition of ab initio nuclear wave functions. United States: N. p., 2015.
Web. doi:10.1103/PhysRevC.91.034313.
Johnson, Calvin W. Spinorbit decomposition of ab initio nuclear wave functions. United States. doi:10.1103/PhysRevC.91.034313.
Johnson, Calvin W. 2015.
"Spinorbit decomposition of ab initio nuclear wave functions". United States.
doi:10.1103/PhysRevC.91.034313.
@article{osti_1180483,
title = {Spinorbit decomposition of ab initio nuclear wave functions},
author = {Johnson, Calvin W.},
abstractNote = {},
doi = {10.1103/PhysRevC.91.034313},
journal = {Physical Review C},
number = 3,
volume = 91,
place = {United States},
year = 2015,
month = 3
}
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevC.91.034313
Other availability
Cited by: 6works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Flexible nuclear screening approximation to the twoelectron spin–orbit coupling based on ab initio parameterization
The derivation, implementation, and validation of a new approximation to the twoelectron spin–orbit coupling (SOC) terms is reported. The approximation, referred to as flexible nuclear screening spin–orbit, is based on the effective oneelectron spin–orbit operator and accounts for twoelectron SOC effects by screening nuclear charges. A highly flexible scheme for the nuclear screening is developed, mainly using parameterization based on ab initio atomic SOC calculations. Tabulated screening parameters are provided for contracted and primitive Gaussiantype basis functions of the ANORCC basis set for elements from H to Cm. The strategy for their adaptation to any other Gaussian basis set ismore » 
Spinorbit interaction with nonlinear wave functions.
The computation of the spinorbit interaction is discussed for electronic wave functions expressed in the new nonlinear expansion form. This form is based on spin eigenfunctions using the graphical unitary group approach (GUGA). The nodes of a Shavitt graph in GUGA are connected by arcs, and a Configuration State Function (CSF) is represented as a walk along arcs from the vacuum node to a head node. The wave function is a linear combination of product functions each of which is a linear combination of all CSFs, wherein each CSF coefficient is a product of nonlinear arc factors. When the spinorbitmore »