/arxiv_1511.02802

Valence space interactions used in "Ground and excited states of doubly open-shell nuclei from ab initio valence-space Hamiltonians"

Primary LanguagePython

This repository contains the interaction files used in

S.R. Stroberg, H. Hergert, J.D. Holt, S.K. Bogner, and A. Schwenk,  PRC(R) xxxx (2016)
  arxiv 1511.02802

The files are in the format used by NuShellX@MSU [1].
The *.int files contain the interaction.
All lines beginning with ! are comment lines.
The first non-comment line is
{ignored integer} {spe for orbit 1} {spe for orbit 2} ... {spe for orbit N} {A_core} {Z_core} {A dependent scaling exponent}

where N is the number of single-particle orbits.
All lines thereafter are of the form

a   b   c   d    J   T'     <abJT' | V | c d JT'>

where a,b,c,d are integer indices labeling the valence orbits, J is the total angular momentum,
and T' is an isospin-like parameter used by NuShellX, and V is the two-body interaction.



Note that the proton-neutron two-body matrix elements (TBME) are un-normalized,
while the proton-proton and neutron-neutron TBME are normalized.
To obtain the normalized TBME, take

<aaJ| V |ccJ>_npn    =           <aaJ| V |ccJ>_upn
<abJ| V |ccJ>_npn    = 1/sqrt(2) <abJ| V |ccJ>_upn
<aaJ| V |cdJ>_npn    = 1/sqrt(2) <aaJ| V |cdJ>_upn
<abJ| V |cdJ>_npn    = 1/2       <abJ| V |cdJ>_upn




The *.sp files are used by NuShellX to define the single-particle orbits.


Files in the TargetedNormalOrdering directory were obtained using the reference indicated in the file name.

*********************************************************************************************************************************************
Note that for the calculations made to generate these interactions, the first step is a transformation to the Hartree-Fock basis.
This transformation is defined up to a phase factor, which is arbitrary, and if uncorrected is dictated by the details of the
method used to diagonalize the Fock matrix. The interactions files in the main working directory (those staring with SD_e14...), are
not corrected. This has no impact on the resulting eigenvalues, but if one wishes to compare to other interactions, e.g. USD, or to
calculate the expectation value of bare operators (i.e. not consistently IMSRG evolved), then one needs to be careful about the phase convention.
The directory PhaseCorrected contains copies of the interaction files SD_e14... which have been corrected to have the same phase convention as
the one assumed by NuShellX.
*********************************************************************************************************************************************


=================================================================================================
=================================================================================================
[1] B. A. Brown and W. D. M. Rae, Nucl. Data Sheets 120, 115 (2014).