An SCF calculation of the derivatives of the multipole moments and polarizabilities of formaldehyde
- 10 October 1982
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 47 (2) , 355-361
- https://doi.org/10.1080/00268978200100262
Abstract
The components of the dipole moment 𝛍, quadrupole moment 𝛉, dipole polarizability α, dipole-quadrupole polarizability A and first hyperpolarizability β of the formaldehyde molecule have been calculated as functions of nuclear coordinates with an accurate SCF wavefunction. Calculation of derivatives of these properties subject to the Eckart conditions is discussed.Keywords
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