TY - JOUR
T1 - The relativistic correction to the excitation energy of formaldehyde
AU - Phillips, Philip
AU - Davidson, Ernest R.
N1 - Funding Information:
This work was partially supported by a grant from the National Science Foundation_
PY - 1981/3/1
Y1 - 1981/3/1
N2 - First-order perturbation theory for the mass-velocity, Darwin, and magnetic corrections was used with a non-relativistic wavefunction to calculate relativistic contributions to the ground and 3A2, 3A', 3A1,2B2, and 2B1 excited states of Corrections to the excitation energy were found to be in the range of 30-80 cm-1.
AB - First-order perturbation theory for the mass-velocity, Darwin, and magnetic corrections was used with a non-relativistic wavefunction to calculate relativistic contributions to the ground and 3A2, 3A', 3A1,2B2, and 2B1 excited states of Corrections to the excitation energy were found to be in the range of 30-80 cm-1.
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U2 - 10.1016/0009-2614(81)80005-X
DO - 10.1016/0009-2614(81)80005-X
M3 - Article
AN - SCOPUS:4243344715
SN - 0009-2614
VL - 78
SP - 230
EP - 233
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 2
ER -