| Spectroscopic constant |
Unit |
Description |
| Te |
cm\(^{-1}\) |
Minimum of the electronic potential
|
| omega_e |
cm\(^{-1}\) |
Harmonic (fundamental) vibrational frequency
|
| omega_ex_e |
cm\(^{-1}\) |
First-order anharmonic vibrational frequency
|
| omega_ey_e |
cm\(^{-1}\) |
Second-order anharmonic vibrational frequency
|
| omega_ez_e |
cm\(^{-1}\) |
Third-order anharmonic vibrational frequency
|
| R_e |
Å |
Equilibrium internuclear distance
|
| IP |
eV |
Ionization potential
|
| D_0 |
eV |
Dissociation energy
|
| B_e |
cm\(^{-1}\) |
Equilibrium rotational constant
|
| B_v |
cm\(^{-1}\) |
Rotational constant at certain vibronic state v. \(B_v = B_e - \alpha_e (v + 1/2) + \beta_e (v + 1/2)^2 \) |
| alpha_e |
cm\(^{-1}\) |
Vibrational dependence parameter for \(B_v\) |
| beta_e |
cm\(^{-1}\) |
Vibrational dependence parameter for \(B_v\) |
| A_e |
cm\(^{-1}\) |
Equilibrium spin-orbit interaction parameter
|
| A_v |
cm\(^{-1}\) |
Spin-orbit interaction parameter at certain vibronic state v. \(A_v = A_e - \zeta_e (v + 1/2) + \eta_e (v + 1/2) ^2\) |
| zeta_e |
cm\(^{-1}\) |
Vibrational dependence parameter for \(A_v\) |
| eta_e |
cm\(^{-1}\) |
Vibrational dependence parameter for \(A_v\) |
| gamma_e |
cm\(^{-1}\) |
Equilibrium spin-rotation interaction parameter |
| gamma_v |
cm\(^{-1}\) |
Spin-rotation interaction parameter at certain vibrational state v |
| LambdaSS_e |
cm\(^{-1}\) |
Equilibrium spin-spin interaction parameter |
| LambdaSS_v |
cm\(^{-1}\) |
Spin-spin interaction parameter at certain vibrational state v |
| o_v |
cm\(^{-1}\) |
Gamma-type doubling constants at certain vibrational state v |
| p_v |
cm\(^{-1}\) |
Gamma-type doubling constants at certain vibrational state v |
| q_v |
cm\(^{-1}\) |
Gamma-type doubling constants at certain vibrational state v |
| D_e |
cm\(^{-1}*10^{-7}\) |
Equilibrium centrifugal distortion constant |
| v |
None |
Vibrational state |
| origin |
cm\(^{-1}\) |
Origin to the energy levels at certain vibrational state. \(E(Origin) = E_{vib}(v) = T_e + E(v) = T_e + \omega_e ( v + 1/2) - \omega_ex_e (v + 1/2) ^ 2 + \omega_ey_e (v + 1/2) ^ 3 + \omega_ez_e (v + 1/2) ^ 4\) |
