Ground states of linear molecules: Dissociation energies and dipole moments in the hartree–fock approximation
- M. Yoshimine
- A.D. Mclean
- 2009
- International Journal of Quantum Chemistry
Publications
88 results for A.D. Mclean
A Cl study of the classical and nonclassical structures of the vinyl cation and their optimum path for rearrangement
- J. Weber
- M. Yoshimine
- et al.
- 2008
- The Journal of Chemical Physics
Ab initio effective core potentials including relativistic effects. III. Ground state Au2 calculations
- Yoon S. Lee
- Walter C. Ermler
- et al.
- 2008
- The Journal of Chemical Physics
Extended basis first-order CI study of the 1A′, 3A″, 1A″, and B̃ 1A′ potential energy surfaces of the O(3P,1D)+H 2(1Σg+) reaction
- Robert E. Howard
- A.D. McLean
- et al.
- 2008
- The Journal of Chemical Physics
Computational experiments on the lowest two electronic states of the N 2H3 radical
- G.S. Chandler
- A.D. McLean
- 2008
- The Journal of Chemical Physics
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11-18
- A.D. McLean
- G.S. Chandler
- 2008
- The Journal of Chemical Physics
Ab initio potential curve for Be2(1Σ g+) from the interacting correlated fragments method
- B. Liu
- A.D. McLean
- 2008
- The Journal of Chemical Physics
Model potential SCF calculations on Cl2, Br2, and I2
- O. Gropen
- S. Huzinaga
- et al.
- 2008
- The Journal of Chemical Physics
Near Hartree-Fock calculations on I2 and its positive and negative ions
- A.D. McLean
- O. Gropen
- et al.
- 2008
- The Journal of Chemical Physics
The effects of basis set quality and configuration mixing in ab initio calculations of the ionization potentials of the nitrogen molecule
- W.C. Ermler
- A.D. McLean
- 2008
- The Journal of Chemical Physics