Submit new data

If you have some data to submit, you can send them in a file to marie-lise.dubernet[at]obspm.fr. This file must respect these following syntaxes :

Article syntax

     @ARTICLE{
     author = {Buffa, G. and Tarrini, O. and Scappini, F. and Cecchi-Pestellini, C.},
     title = {H$_2$O-H$_2$O Collision Rate Coefficients},
     journal = {Ap. J. S.},
     year = {2000},
     month = {Februrary},
     volume = {128},
     issue = {2},
     pages = {597--601},
     url = {http://cdsads.u-strasbg.fr/cgi-bin/nph-bib_query?bibcode=2000ApJS..128..597B&db_key=AST},
     linkToData = {http://www.adresse1.com ; http://www.adresse2.com},
     adsnote = {Provided by the NASA Astrophysics Data System},
     keywords = {category1 : keyword ; category2 : keyword ; category3 : keyword}
     }

Highlighted syntax elements are the most important to respect,
Lines starting with a '@' or '#' are ignored. They can be used to put comments,
These entries must be present for all articles : author, title, journal, year. Others are optionals.

Collisional energy levels syntax

Title = give the Title of the data set (Author1 et al, Journal, Year). Please indicate in title : Rotational, Vibrational Ro-Vibrational, Fine, Hyperfine levels, etc...
Comment = give here a description of the data sets (please look at examples in BASECOL) and indicate reference to the data sets
Please indicate the symmetries = 1Sig, 2Sig, 2Pi, etc...

Format of collisional energy tables

1rst column = level label (from 1 to N)
2nd column = energy (in cm-1)
3rd and following columns = quantum numbers
For quantum numbers, could you please follow the description of quantum numbers indicated in the attached case by case document
Different cases have been defined, please contact marie-lise.dubernet[at]obspm.fr for these following cases:

Your data are described by linear combinaison of cases
Your data are described by other cases

Example file

Collisional rate coefficients syntax

Type of collisional rates = state-to-state, effective, thermalized
Title = give the Title of the data set (Author1 et al, Journal, Year). Often title is title of related paper
Comment = give here a description of the data sets. Please look at examples in BASECOL and indicate reference to the data set
Ref = give the reference of the related paper or papers (full ref.) :

Reduced mass
PES = give some indication about the PES with ref
Method = indicate method used (example: CC, CS, IOS, QCT, etc..)
Range of energies = indicate range of energies
Xs
Basis set = indicate basis set
Precision = give precision indicated in your paper

Format of collisional rates tables

1rst Line = the serie of N temperatures separated by one or several blank space
For each following lines:
1rst column i1 = initial level of molecule 1 (molecule 1 is usually the target)
2nd column f1 = final level of molecule 1
3rd column i2 = initial level of molecule 2 (molecule 2 is usually the collider)
4th column f2 = final level of molecule 2
N columns containing the rate coefficients

Format of Temperatures = Integer (I4)
Format of levels = Integer (I4)
Format of rate coefficients = Double (Real*8)
If molecule 2 has no structure: i2=f2=1 (molecule - atom/electron) collision
If rates are effective rate coefficients for a given i2, then f2=i2
If rates are thermalized rate coefficients: i2=f2=1

*Note : labelling of levels in COLLISION RATES TABLE, refer to the labelling of the corresponding table of energy of molecule 1 and molecule 2. Therefore even if your calculations do not include the use of the correct energies (IOS calculations, recoupling method for hyperfine levels), you must provide a table of energy (the quantum numbers will be correct, and the energies might be either approximate or taken from spectroscopic databases).

Example file

Fitting coefficients syntax

Title = give the Title of the data set (Author1 et al, Journal, Year)
Fit function = give the fit function, see example
Comment = give here a description if necessary
Ref = if any

Format of fitting coefficients table

1rst Line = the serie of N coefficients
For each following lines :
1rst column = i1 = initial level of molecule 1 (mol1 is usually the target)
2nd column = f1 = final level of molecule 1
3rd column = i2 = initial level of molecule 2 (mol2 is usually the collider)
4th column = f2 = final level of molecule 2
N columns containing the fitting coefficients

Example file