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 — documentation:language_reference:functions:orbtomultiplicity [2018/08/02 14:30] (current)Simon Heinze created 2018/08/02 14:30 Simon Heinze created 2018/08/02 14:30 Simon Heinze created 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 ==== + ​ + 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 + + ​ + + ==== Result ==== + ​ + 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 + + + ​ + + ===== Table of contents ===== + {{indexmenu>​.#​1}}