no way to compare when less than two revisions

Differences

This shows you the differences between two versions of the page.


Last revision
—documentation:language_reference:functions:orbtomultiplicity [2018/08/02 14:30] – created Simon Heinze
Line 1: Line 1:
 +====== OrbToMultiplicity ======
 +
 +(will be published in Fall 2018)
 +###
 +OrbToMultiplicity(//orb//) tries to interpret the string //orb// as an atomic orbital and returns the multiplicity of the state (spin included).
 +###
 +
 +===== Input =====
 +
 +  * //orb// : String that can be interpreted as an atomic orbital (i.e. //orb// ends on "s", "p", "12", "32", "1/2", "3/2", or the like)
 +
 +===== Output =====
 +
 +  * //mult// : Interger value of the multiplicity of the orbital
 +
 +===== Example =====
 +
 +==== Input ====
 +<code Quanty Example.Quanty>
 +OrbList = {"1s","2s","2p","3s","3p","3d","4s","4p","4d","4f","5s","5p","5d","5f","5g","6s","6p","6d","6f","6g","6h","7s","7p","7d","7f","7g","8s","8p","8d","8f","9s","9p","9d","10s","10p","11s","Noodles","Mind the Gap","Barely Used","Stuff","Hug","Test","1s12","2s12","1s1/2","2s1/2","2p1/2","2p3/2","Saturday 5/2","Ephebus 7/2","Nose-in-Fridge 9/2"} 
 +
 +for key,orb in pairs(OrbList) do
 +    print("Multiplicity of \""..orb.."\": "..OrbToMultiplicity(orb))
 +end
 +
 +</code>
 +
 +==== Result ====
 +<file Quanty_Output>
 +Multiplicity of "1s": 2
 +Multiplicity of "2s": 2
 +Multiplicity of "2p": 6
 +Multiplicity of "3s": 2
 +Multiplicity of "3p": 6
 +Multiplicity of "3d": 10
 +Multiplicity of "4s": 2
 +Multiplicity of "4p": 6
 +Multiplicity of "4d": 10
 +Multiplicity of "4f": 14
 +Multiplicity of "5s": 2
 +Multiplicity of "5p": 6
 +Multiplicity of "5d": 10
 +Multiplicity of "5f": 14
 +Multiplicity of "5g": 18
 +Multiplicity of "6s": 2
 +Multiplicity of "6p": 6
 +Multiplicity of "6d": 10
 +Multiplicity of "6f": 14
 +Multiplicity of "6g": 18
 +Multiplicity of "6h": 22
 +Multiplicity of "7s": 2
 +Multiplicity of "7p": 6
 +Multiplicity of "7d": 10
 +Multiplicity of "7f": 14
 +Multiplicity of "7g": 18
 +Multiplicity of "8s": 2
 +Multiplicity of "8p": 6
 +Multiplicity of "8d": 10
 +Multiplicity of "8f": 14
 +Multiplicity of "9s": 2
 +Multiplicity of "9p": 6
 +Multiplicity of "9d": 10
 +Multiplicity of "10s": 2
 +Multiplicity of "10p": 6
 +Multiplicity of "11s": 2
 +Multiplicity of "Noodles": 2
 +Multiplicity of "Mind the Gap": 6
 +Multiplicity of "Barely Used": 10
 +Multiplicity of "Stuff": 14
 +Multiplicity of "Hug": 18
 +
 +Could not interpret orbital "Test" as either relativistic or non-relativistic atomic orbital, returning -1.
 +Multiplicity of "Test": -1
 +Multiplicity of "1s12": 2
 +Multiplicity of "2s12": 2
 +Multiplicity of "1s1/2": 2
 +Multiplicity of "2s1/2": 2
 +Multiplicity of "2p1/2": 2
 +Multiplicity of "2p3/2": 4
 +Multiplicity of "Saturday 5/2": 6
 +Multiplicity of "Ephebus 7/2": 8
 +Multiplicity of "Nose-in-Fridge 9/2": 10
 +
 +
 +</file>
 +
 +===== Table of contents =====
 +{{indexmenu>.#1}}
  

You are here: Quanty - a quantum many body script language » Documentation » Language Reference » Functions » OrbToMultiplicity

Print/export