arc.divalent_atom_functions.DivalentAtom.getLiteratureDME#

DivalentAtom.getLiteratureDME(n1, l1, j1, n2, l2, j2, s=0)[source]#

Returns literature information on requested transition.

Parameters

  • n1 – one of the states we are coupling

  • l1 – one of the states we are coupling

  • j1 – one of the states we are coupling

  • n2 – the other state to which we are coupling

  • l2 – the other state to which we are coupling

  • j2 – the other state to which we are coupling

  • s – (optional) spin of the state. Default s=0.

Returns

hasLiteratureValue?, dme, referenceInformation

If Boolean value is True, a literature value for dipole matrix element was found and reduced DME in J basis is returned as the number. The third returned argument (array) contains additional information about the literature value in the following order [ typeOfSource, errorEstimate , comment , reference, reference DOI] upon success to find a literature value for dipole matrix element:

  • typeOfSource=1 if the value is theoretical calculation; otherwise, if it is experimentally obtained value typeOfSource=0

  • comment details where within the publication the value can be found

  • errorEstimate is absolute error estimate

  • reference is human-readable formatted reference

  • reference DOI provides link to the publication.

Boolean value is False, followed by zero and an empty array if no literature value for dipole matrix element is found.

Return type

bool, float, [int,float,string,string,string]

Note

The literature values are stored in /data folder in <element name>_literature_dme.csv files as a ; separated values. Each row in the file consists of one literature entry, that has information in the following order:

  • n1

  • l1

  • j1

  • n2

  • l2

  • j2

  • s

  • dipole matrix element reduced l basis (a.u.)

  • comment (e.g. where in the paper value appears?)

  • value origin: 1 for theoretical; 0 for experimental values

  • accuracy

  • source (human readable formatted citation)

  • doi number (e.g. 10.1103/RevModPhys.82.2313 )

If there are several values for a given transition, program outputs the value that has smallest error (under column accuracy). The list of values can be expanded - every time program runs this file is read and the list is parsed again for use in calculations.