Molecule Types Asymmetric Tops |
Molecule Types Asymmetric Tops |
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| Colour | Colour - set to "None" to take value from elsewhere as explained in Determining Colours and J ranges. |
| RveSelect | Only include given rovibronic symmetry - for normal use set to 'all' |
| S | Spin |
| Symmetry | Symmetry |
| Kmin | Minimum |K| to use
in basis; -1 (default) for no lower limit. This is designed for use
where there are issues with the Hamiltonian, such as when poorly
defined centrifugal distortion constants put high K levels in unreasonable places, or
simply to reduce the size of the matrix. To plot selected transitions
use the transitions dialog, rather
than this setting as Kmin
and Kmax will change the
energies and intensities. |
| Kmax | Maximum |K| to use in basis; -1 (default) for no upper limit. |
| A Reduction |
S Reduction |
||
| Origin | State Origin. | ||
| Width | Linewidth (rotation independent) for state; see Width and Lifetime effects | ||
| A | A rotational constant | ||
| B | B rotational constant | ||
| C | C rotational constant | ||
| BBar |
|
Average of rotational constants perpendicular to K axis - Alternate form for rotational constants | |
| BDelta |
|
Difference between rotational constants perpendicular to K axis - Alternate form for rotational constants | |
| DK | ΔK | DK | K4 Quartic Centrifugal Distortion |
| DJK | ΔJK | DJK | J(J+1)K2 Quartic Centrifugal Distortion |
| DJ | ΔJ | DJ | J2(J+1)2 Quartic Centrifugal Distortion |
| deltaK | δK | d2 | deltaK - A/S reduction dependent off diagonal Quartic Centrifugal Distortion |
| deltaJ | δJ | d1 | deltaJ - A/S reduction dependent off diagonal Quartic Centrifugal Distortion |
| HK | ΦK | HK | K6 Sextic Centrifugal Distortion |
| HKJ | ΦKJ | HKJ | J(J+1)K4 Sextic Centrifugal Distortion |
| HJK | ΦJK | HJK | J2(J+1)2K2 Sextic Centrifugal Distortion |
| HJ | ΦK | HJ | J3(J+1)3 Sextic Centrifugal Distortion |
| phiK | φK | h3 | A/S reduction dependent off-diagonal Sextic Centrifugal Distortion |
| phiJK | φJK | h2 | A/S reduction dependent off-diagonal Sextic Centrifugal Distortion |
| phiJ | φJ | h1 | A/S reduction dependent off-diagonal Sextic Centrifugal Distortion |
| LK | LK | K8 Octic Centrifugal Distortion | |
| LKKJ | LKKJ | J(J+1)K6 Octic Centrifugal Distortion | |
| LJK | LJK | J2(J+1)2K4 Octic Centrifugal Distortion | |
| LJJK | LJJK | J3(J+1)3K2 Octic Centrifugal Distortion | |
| LJ | LJ | J4(J+1)4 Octic Centrifugal Distortion | |
| llK | lK | A/S reduction dependent off diagonal Octic Centrifugal Distortion | |
| llKJ | lKJ | A/S reduction dependent off diagonal Octic Centrifugal Distortion | |
| llJK | lJK | A/S reduction dependent off diagonal Octic Centrifugal Distortion | |
| llJ | lJ | A/S reduction dependent off diagonal Octic Centrifugal Distortion | |
| eaa | εaa | aa spin-rotation Parameter | |
| ebb | εbb | bb spin-rotation Parameter | |
| ecc | εcc | cc spin-rotation Parameter | |
| eabbar | ½(εab + εba) | off-diagonal spin-rotation Parameter | |
| eacbar | ½(εac + εca) | off-diagonal spin-rotation Parameter | |
| ebcbar | ½(εbc + εcb) | off-diagonal spin-rotation Parameter | |
| DsN | DsN |
ΔsN | quartic spin rotation parameter |
| DsNK | DsNK | ΔsNK | quartic spin rotation parameter |
| DsKN | DsKN | ΔsKN | quartic spin rotation parameter |
| DsK | DsK | ΔsK | quartic spin rotation parameter |
| ds1 | ds1 | δsN | quartic spin rotation parameter |
| ds2 | ds2 | δsK | quartic spin rotation parameter |
| alpha | α |
Diagonal spin-spin coupling constant (=D/3) | |
| beta | β | Off-Diagonal spin-spin coupling constant (=E) | |
| wKa | multiplier of <Ja2> for linewidth; see Width and Lifetime effects | ||
| wKb | multiplier of <Jb2> for linewidth; see Width and Lifetime effects | ||
| wKc | multiplier of <Jc2> for linewidth; see Width and Lifetime effects | ||
| wBar | multiplier of <J(J+1)-K2> for linewidth; see Width and Lifetime effects | ||
| wDelta | multiplier of <J+2+J_2>/4 for linewidth; see Width and Lifetime effects | ||
