PySpecTools/pyspectools/pickett_terms.yml at main · laserkelvin/PySpecTools · GitHub

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"B":                         # B rotational constant for
  "linear": "100"             # linear molecule
  "top": "20000"              # top molecule
"A": "10000"                    # A rotational constant
"C": "30000"                    # C rotational constant
"D": "200"                      # quartic centrifugal, linear
"H": "300"                      # sextic centrifugal, linear
"D_J":               # centrifugal, J
    "A": "200"
    "S": "200"
"D_K":               # centrifugal, K
    "A": "2000"
    "S": "2000"
"D_JK":              # centrifugal, JK
    "A": "1100"
    "S": "1100"
"del J":
    "A": "40100"
    "S": "40100"
"del K":
  "A": "41000"
  "S": "50000"
"gamma":  "10000000"               # spin-rotation
"gammaD": "10000100"               # spin-rotation, quadratic distortion
"gammaH": "10000200"               # spin-rotation, sextic distortion
"bF": "120000000"                  # Fermi contact interaction
"c": "120010000"                   # electron spin/nuclear spin, diagonal
"eQq": "{0}20010000"               # quadrupole, diagonal; note this is 1.5x!
"eQq/2": "-{0}20010000"            # quadrupole, off-diagonal
"C_I": "20000000"                  # nuclear spin-rotation, diagonal
"C_I_prime": "0"                    # off-diagonal