Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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34 results for Byron H. Lengsfield III

Symmetry breaking in molecular calculations and the reliable prediction of equilibrium geometries. The formyloxyl radical as an example
- - A.D. McLean
  - B.H. Lengsfield III
  - et al.
- 1985
- The Journal of Chemical Physics
Ab initio assignment of the UV spectra of the ethyl, isopropyl, and t-butyl radicals
- - B.H. Lengsfield III
  - P. Siegbahn
  - et al.
- 1984
- The Journal of Chemical Physics
The binding energy of the ground state of Be₂
- - B.H. Lengsfield III
  - A.D. McLean
  - et al.
- 1983
- The Journal of Chemical Physics
Theoretical study of the AlO blue-green (B²∑⁺-X²∑⁺ band system
- - H. Partridge
  - Stephen R. Langhoff
  - et al.
- 1983
- Journal of Quantitative Spectroscopy and Radiative Transfer
Formaldehyde: Ab initio MCSCF+Cl transition state for H₂CO→ CO+H₂ on the S₀ surface
- - M. Dupuis
  - W.A. Lester Jr.
  - et al.
- 1983
- The Journal of Chemical Physics
Theoretical study of NH₂: Potential curves, transition moments, and photodissociation cross sections
- - Roberta P. Saxon
  - Byron H. Lengsfield III
  - et al.
- 1982
- The Journal of Chemical Physics
The dissociation energy of MgO
- - Charles W. Bauschlicher Jr.
  - Byron H. Lengsfield III
  - et al.
- 1982
- The Journal of Chemical Physics
Ab initio dipole moment functions for the X ²Σ⁺ and B ²Σ⁺ states of AlO
- - B.H. Lengsfield III
  - B. Liu
- 1982
- The Journal of Chemical Physics
General second-order MCSCF theory for large Cl expansions
- - B.H. Lengsfield III
- 1982
- The Journal of Chemical Physics
Half-projected Hartree-Fock calculations on several small molecules
- - Byron H. Lengsfield III
  - Donald H. Phillips
  - et al.
- 1981
- The Journal of Chemical Physics