diff --git a/ChangeLog b/ChangeLog index c0341372591ce3de6ef760ebdee9b3bfea21caf7..bbe844a1106c8d108f2c6331c0e18ae02924ce57 100644 --- a/ChangeLog +++ b/ChangeLog @@ -1,3 +1,10 @@ +2016-05-20 Richard Larsson <ric.larsson@gmail.com> + + * ARTS-XML-DATA-2-3-22 + + * spectroscopy/QuantumConstants/*: Updated for change that allows + Hund case a to work as expected. + 2016-01-27 Oliver Lemke <olemke@core-dump.info> * ARTS-XML-DATA-2-3-21 diff --git a/spectroscopy/QuantumConstants/README b/spectroscopy/QuantumConstants/README index fdb308c3dc8a015962eaec2f0af6fcd30916d737..798aee96b5fabe45eb392c90f41f39626011a67a 100644 --- a/spectroscopy/QuantumConstants/README +++ b/spectroscopy/QuantumConstants/README @@ -1,10 +1,12 @@ Format of zeeman_constants.xml: -@ Isotope GS Spin Hund_case +@ Isotope GS Lambda Spin Hund_case where GS is a constant for the molecule that calculates the effective g-value, -Spin is a molecular constant, and Hund_case tells the program to estimate the -calculations with a specific Hund case. +Lambda is the ground state number, Spin is the spin, and Hund_case tells the +program to estimate the calculations with a specific Hund case. +Note, for example, that O2 ground state is Sigma_3, so Lambda is 0 and S is 1, NO ground +state is Pi_2 so Lambda is 1 and S is 1/2. The Zeeman split is calculated with changes in energy levels. Essentially, dE = g M C_Z, @@ -26,7 +28,8 @@ Hund case b is number "1". Assuming the electron is free, then GS = 2.0023193043622. We used this assumption when we had no other data for GS. However, we do not know how well this assumption holds for the respective molecules. Currently, -this regards NO2 and HO2. +this regards NO2 and HO2, though these are only included for reference and will +not run. The GS values for O2, NO, OH, ClO, and SO are from diff --git a/spectroscopy/QuantumConstants/zeeman_constants.xml b/spectroscopy/QuantumConstants/zeeman_constants.xml index 11e9c2dbed349e80d7f1cb01f1e149524b5f5d37..b120df91358036531b21d11df8f7f94edca590bd 100644 --- a/spectroscopy/QuantumConstants/zeeman_constants.xml +++ b/spectroscopy/QuantumConstants/zeeman_constants.xml @@ -1,21 +1,21 @@ <?xml version="1.0"?> <arts format="ascii" version="1"> -<SpeciesAuxData version="1" nelem="16" nparam="3"> -@ O2-66 2.002064 1 1 -@ O2-68 2.002064 1 1 -@ O2-67 2.002064 1 1 -@ NO-46 2.00071 0.5 0 -@ NO-56 2.00071 0.5 0 -@ NO-48 2.00071 0.5 0 -@ OH-61 2.00089 0.5 0 -@ OH-81 2.00089 0.5 0 -@ OH-62 2.00089 0.5 0 -@ ClO-56 2.00072 0.5 0 -@ ClO-76 2.00072 0.5 0 -@ SO-26 2.002106 1 1 -@ SO-46 2.002106 1 1 -@ SO-28 2.002106 1 1 -@ NO2-646 2.0023193043622 0.5 1 -@ HO2-166 2.0023193043622 0.5 1 +<SpeciesAuxData version="1" nelem="16" nparam="4"> +@ O2-66 2.002064 0 1 1 +@ O2-68 2.002064 0 1 1 +@ O2-67 2.002064 0 1 1 +@ NO-46 2.00071 1 0.5 0 +@ NO-56 2.00071 1 0.5 0 +@ NO-48 2.00071 1 0.5 0 +@ OH-61 2.00089 1 0.5 0 +@ OH-81 2.00089 1 0.5 0 +@ OH-62 2.00089 1 0.5 0 +@ ClO-56 2.00072 1 0.5 0 +@ ClO-76 2.00072 1 0.5 0 +@ SO-26 2.002106 0 1 1 +@ SO-46 2.002106 0 1 1 +@ SO-28 2.002106 0 1 1 +@ NO2-646 2.0023193043622 -1 0.5 1 +@ HO2-166 2.0023193043622 -1 0.5 1 </SpeciesAuxData> </arts>