Professor Buckingham's research has focussed on the measurement and understanding of the electric, magnetic and optical properties of molecules; as well as on the theory of intermolecular forces.
Initially he worked on dielectric properties of liquids, such as dipole moments of molecules in both solution and gas phases. He developed the theory of the interaction of molecules in liquids and gases with external electric and magnetic fields. In 1959, he proposed a direct method of measurement of molecular quadrupole moments of molecules (measured in buckinghams), which he demonstrated experimentally in 1963 on the carbon dioxide molecule. In 1960, he developed theories of solvent effects on nuclear magnetic resonance (NMR) spectra and vibrational spectra of molecules. In 1962 he considered the effect on NMR spectra of molecular orientation in a strong electric field, and developed a method to determine the absolute sign of the spin-spin coupling constant. In 1968, he determined the first accurate values of hyperpolarizability using the Kerr effect. In 1971 Buckingham and Laurence Barron pioneered the study of Raman optical activity, due to differences in the Raman scattering of left and right-polarized light by chiral molecules.
In the 1980s, he showed the importance of long-range intermolecular forces in determining the structure and properties of small molecule clusters, with particular applications in biological macromolecules. In 1990 he predicted the linear effect of an electric field on the reflection of light at interfaces. In 1995, he proved that the sum of the rotational strengths of all vibrational transitions from the ground state of a chiral molecule is zero.
- Anon (1996). "Amyand David Buckingham". Molecular Physics. 87 (4): 711–724. Bibcode:1996MolPh..87..711.. doi:10.1080/00268979600100491.
- Aroney, M. J.; Buckingham, A. D. (1988). "Raymond James Wood Le Fevre. 1 April 1905-26 August 1986". Biographical Memoirs of Fellows of the Royal Society. 34: 374. doi:10.1098/rsbm.1988.0014.
- Buckingham, A. D. (2006). "Sir John Anthony Pople. 31 October 1925 -- 15 March 2004: Elected FRS 1961". Biographical Memoirs of Fellows of the Royal Society. 52: 299–210. doi:10.1098/rsbm.2006.0021.
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- "A. David Buckingham | England Cricket | Cricket Players and Officials | ESPN Cricinfo". Archived from the original on 16 March 2012.
- Buckingham A.D., Direct method of measuring molecular quadrupole moments, J. Chem. Phys., 30, 1959, 1580-1585
- Buckingham, A. D.; Disch, R. L. (1963). "The Quadrupole Moment of the Carbon Dioxide Molecule". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. 273 (1353): 275. Bibcode:1963RSPSA.273..275B. doi:10.1098/rspa.1963.0088.
- Buckingham A.D., Schaffer T. and Schneider W.G. Solvent effects in nuclear magnetic resonance spectra, J. Chem. Phys., 32, 1960, 1227-1233
- Buckingham A.D., Solvent effects in vibrational spectroscopy, Trans. Faraday Society, 56, 1960, 753-760
- Buckingham A.D. and Lovering E.G., Effects of a strong electric fields on NMR spectra. The absolute sign of the spin coupling constant, Transactions Faraday Society, 58, 2077-2081 (1962)
- Buckingham A.D. and Hibbard P., Polarizability and Hyperpolarizability of the Helium Atom, Symp. Faraday Society, 2, 1968, 41-47
- Barron L.D. and Buckingham A.D., Rayleigh and Raman Scattering from optically active molecules, Molecular Physics, 20, 1971, 1111-1119 (1971)
- Buckingham A.D. Linear and nonlinear light scattering from the surface of liquids, Australian Journal of Physics, 43, 617-624 (1990)
- Buckingham A.D. The theoretical background to vibrational optical activity, Faraday Discussions, 99, 1-12 (1994)Abstract