DFT-UNEDF
Working Group
|
Determination
of the Nuclear Energy functional:
Database
of
Experimental Data and Related Software
|
The database contains selected
experimental material from published references only. It is aimed at
providing a complete set of experimental observables that can be used
to fit the parameters of effective interactions or energy functionals.
In particular, it should contain enough data to probe most of the terms
of a realistic energy functional. Three sets of data can be somewhat
arbitrarily distinguished:
-
Spherical
nuclei - The best
mean-field candidates where correlations beyond the mean-field are
shown to be small or relatively constant over an isotopic
chain. Observables:
ground-state energy, diffraction radius, r.m.s. radius,
surface thickness, position of the
first 2+ state and B(E2) value, giant monopole resonance and giant
dipole resonance in 90Zr, 116Sn
and 208Pb.
-
Deformed
nuclei - Available calculations using various effective
interaction
indicate large ground-state deformations for these nuclei which are
good example of a deformed mean-field. Observables:
ground-state energy with related experimental uncertainty, position of
the first super-deformed state or fission isomer. Equilibrium
deformations obtained from HFB-SLY4 calculation are given
for comparison.
-
Symmetry-unrestricted
- These observables are chosen to probe symmetry-breaking components of
a given energy functional, or additional correlations such as pairing
correlations. Observables:
high-K terminating states, ground-state spins and parity of odd-mass
nuclei, 1q.p. excited states of odd-mass heaviest elements
Spherical Nuclei
- Masses, r.m.s. radii, diffraction radii and surface
thickness
- Giant monopole and dipole resonance in 90Zr,
116Sn and 208Pb
- Experimental energy of the first 2+ state and B(E2) value
in Ca, Ni, Sn and Pb isotopes
Axially-deformed Nuclei
- Binding
energy of well-deformed even-even nuclei. Candidates were selected
from a HFB mass-table calculation by M. Stoitsov with the SLy4
interaction according to 2 criteria
- The ground-state equilibrium deformation is greater than
0.25
- The experimental mass of the nucleus is known
- Super-deformed bandheads and fission isomers
- Vpn(Z,N)
= 0.5 * [ B(Z,N) - B(Z,N-2) - B(Z-2,N) + B(Z-2,N-2) ], see M.
Stoitsov, R. B. Cakirli, R. F. Casten, W. Nazarewicz and W. Satula,
Phys. Rev. Lett. 98,
132502 (2007)
Symmetry-unrestricted
- Ground-state spin and parity for odd-mass nuclei (odd-even,
even-odd and odd-odd)
- High-K terminating states in f-p shell nuclei
- 1q.p. excited states of odd-mass heaviest elements
| Software (Version 01, June 18, 2008) |
We
supply the database itself in the form of an Ascii file, as well as
the necessary Fortran 77 and Fortran 90 subroutines to read the files.
Each of the modules can be used "as is" in existing programs.
The entire package (fortran source and file) is also available below in the form of zip archive (unzip *.zip to decompress):
The
programs supplied here open the data file, read all records and fill
out a number of arrays with the data that are read. All the relevant
arrays are listed below, together with a short description for each of
them. This list can also be found in the form of comments in each
source file. In Fortran 77, we use implicit declaration of
variables (variables whose name starts by I-N are integers by default,
others are real by default). In Fortran 90 the Implicit None
instruction is used throughtout and each variable is properly
declared. The Fortran 90 code is also explicitly modular for better
insertion into other codes.
Spherical nuclei (number of cases NUMsphe):
- IZsphe, INsphe: proton number Z and neutron number N
- Bsphe: experimental binding energy
- R0sphe: experimental diffraction radius
- SIGsphe: experimental surface thickness
- RMSsphe: experimental r.m.s radius
Deformed nuclei (number of cases NUMdefo):
- IZdefo, INdefo: proton number Z and neutron number N
- Bdefo: experimental binding energy
- dBdefo: experimental error in binding energy
- b2defo: beta_2 value of g.s. quadrupole deformation (SLY4 calculation)
Super-deformed states and fission isomers (number of cases NUMsupd):
- IZsupd, INsupd: proton number Z and neutron number N
- Bsupd: experimental binding energy
- ESDsupd: energy of the SD bandhead or fission isomer
Giant monopole resonance (number of cases NUMmono):
- IZmono, INmono: proton number Z and neutron number N
- Emono: experimental energy
Giant dipole resonance (number of cases NUMdipo):
- IZdipo, INdipo: proton number Z and neutron number N
- Emdipo: experimental energy
Odd-mass nuclei (number of cases NUModds):
- IZodds, INodds: proton number Z and neutron number N
- SPINodd: experimental g.s. spin
- IPodd: experimental g.s. parity
One quasi-particle state in odd-mass heaviest nuclei (number of cases NUMqpSH):
- IZqpSH, INqpSH: proton number Z and neutron number N
- NQPqpSH: number of q.p. states
- EqpSH: experimental excitation energy
- LABqpSH: experimental Nilsson label
- SPINqpSH: experimental spin
- IPqpSH: experimental parity
Position of the first 2+ state (number of cases NUMtwop):
- IZtwop, INtwop: proton number Z and neutron number N
- Etwop: experimental energy of the 2+ state
- dEtwop: error bar on the energy
- BE2twop: experimental BE2
- dBE2twop: error bar on the BE2
Vpn (number of cases NUMdvpn):
- IZdvpn, INdvpn: proton number Z and neutron number N
- ExcMASdvpn: Mass excess
- ExcERRdvpn: Error on mass excess
- BnucMASdvpn: binding energy per nucleon B/A
- BnucERRdvpn: error (in %) on B/A
- DelVPNdvpn: delta Vpn
- DelERRdvpn: error on delta Vpn
Terminating states (number of cases NUMterm):
- IZterm, INterm: proton number Z and neutron number N
- SPINterm, IP1term: spin Imax and parity for the f7/2 state
- Eterm: energy of the f7/2 state
- SPINdEterm, IP2term: spin Imax and parity for the d3/2^(-1)*f7/2 stat
- dEterm: experimental energy difference between the two configurations
| Credits
and Documentation |
Short presentation of the table with basic formulas for form
factors,
diffraction radius and surface thickness: Link
We warmly thank the following people who contributed to the
selection of these data:
- Peter Kluepfel (masses and radii of spherical nuclei)
- Gianluca Colo (giant monopole and dipole resonance)
- Jun Terasaki (2+ states and B(E2) values)
- Mario Stoitsov (axially-deformed nuclei deformations and
Vpn)
- Ludovic Bonneau (odd-mass spins and parity)
- Wojtek Satula (terminating states)
Last Modification: June, 18, 2008
This page is maintained by N. Schunck, in collaboration with J. Dobaczewski and W. Nazarewicz