diff --git a/ChangeLog b/ChangeLog index c810fbf33b496fbccb50b07803c8d7eeb3f33e34..e113d6887cc3fb107daa0048b337acc43107e100 100644 --- a/ChangeLog +++ b/ChangeLog @@ -1,3 +1,20 @@ +2017-03-01 Richard Larsson <ric.larsson@gmail.com> + + * ARTS-XML-DATA-2-3-24 + + If you update this, also update ARTS to the latest version. + Updating only this will otherwise break the tests in ARTS. + + * spectroscopy/QuantumConstants/*: removed for it was bad. + With the new HITRAN database it is possible to read all values + from file (it was possible before but their documentation was + too difficult to understand.) + + * spectroscopy/Perrin/O2.xml.gz: Changed by adding the quantum + numbers required to compute the Zeeman effect. Note that + reading HITRAN with the update I am soonish committing + will have the same effect + 2017-02-20 Jana Mendrok <jana.mendrok@chalmers.se> * ARTS-XML-DATA-2-3-23 diff --git a/spectroscopy/Perrin/O2.xml.gz b/spectroscopy/Perrin/O2.xml.gz index 512317eb36d9b10631541696335d9df5ed44c8c1..4ae0095f3a79ae7394bfeb1a5b1cace80672cfaf 100644 Binary files a/spectroscopy/Perrin/O2.xml.gz and b/spectroscopy/Perrin/O2.xml.gz differ diff --git a/spectroscopy/QuantumConstants/README b/spectroscopy/QuantumConstants/README deleted file mode 100644 index 798aee96b5fabe45eb392c90f41f39626011a67a..0000000000000000000000000000000000000000 --- a/spectroscopy/QuantumConstants/README +++ /dev/null @@ -1,41 +0,0 @@ -Format of zeeman_constants.xml: - -@ Isotope GS Lambda Spin Hund_case - -where GS is a constant for the molecule that calculates the effective g-value, -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, -where -g = GS/2 * g_H, -and g_H is a function of the quantum numbers for a certain transition and -certain Hund case, M is the quantum number projection of the total angular -momentum on the magnetic field, and C_Z is a function of physical constants and -the magnetic field. - -The change in frequency is then calculated from -df = dE'-dE'', -where the primes tells you that the quantum numbers are before and after the -transition. - -Hund case a is number "0", and -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, though these are only included for reference and will -not run. - -The GS values for O2, NO, OH, ClO, and SO are from - -H. Christensen, and L. Veseth, On the High-Precision Zeeman Effect in 02 and SO. -Journal of Molecular Spectroscopy 72, 438-444, 1978. - -L. Veseth, Relativistic Corrections to the Zeeman Effect in Diatomic Molecules. -Journal of Molecular Spectroscopy 66, 259-271, 1977. - diff --git a/spectroscopy/QuantumConstants/zeeman_constants.xml b/spectroscopy/QuantumConstants/zeeman_constants.xml deleted file mode 100644 index b120df91358036531b21d11df8f7f94edca590bd..0000000000000000000000000000000000000000 --- a/spectroscopy/QuantumConstants/zeeman_constants.xml +++ /dev/null @@ -1,21 +0,0 @@ -<?xml version="1.0"?> -<arts format="ascii" version="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>