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Author:Hay, P.J.

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18 matching references were found.

Kahn, L.R.; Hay, P.J., Theoretical study of curve crossing: ab initio calculations on the four lowest 1«SIGMA»+ states of LiF, J. Chem. Phys., 1974, 61, 3530. [all data]

Dunning, T.H., Jr.; Cartwright, D.C.; Hunt, W.J.; Hay, P.J.; Bobrowicz, F.W., Generalized valence bond calculations on the ground state (X1«SIGMA»g+) of nitrogen, J. Chem. Phys., 1976, 64, 4755. [all data]

Dunning, T.H.; Hay, P.J., Electronic states of KrF, Appl. Phys. Lett., 1976, 28, 649. [all data]

Hay, P.J.; Cartwright, D.C., Rydberg, ionic, and valence interactions in the excited states of F2, Chem. Phys. Lett., 1976, 41, 80-83. [all data]

Hay, P.J.; Dunning, T.H., Jr.; Raffenetti, R.C., Electronic states of Zn2. Ab initio calculations of a prototype for Hg2, J. Chem. Phys., 1976, 65, 2679-2689. [all data]

Hay, P.J.; Dunning, T.H., Jr., Polarization Cl wavefunctions: the valence states of the NH radical, J. Chem. Phys., 1976, 64, 5077. [all data]

Dunning, T.H., Jr.; Hay, P.J., Low-Lying electronic states of the rare gas oxides, J. Chem. Phys., 1977, 66, 3767-3777. [all data]

Hay, P.J.; Dunning, T.H., Jr., The electronic states of KrF, J. Chem. Phys., 1977, 66, 1306-1316. [all data]

Dunning, T.H., Jr.; Hay, P.J., The covalent and ionic states of the rare gas monofluorides, J. Chem. Phys., 1978, 69, 134-149. [all data]

Hay, P.J.; Wadt, W.R.; Kahn, L.R.; Bobrowicz, F.W., Ab initio studies of AuH, AuCl, HgH and HgCl2 using relativistic effective core potentials, J. Chem. Phys., 1978, 69, 984-997. [all data]

Wadt, W.R.; Hay, P.J.; Kahn, L.R., Relativistic and nonrelativistic effective core potentials for xenon. Applications to XeF, Xe2, and Xe2+, J. Chem. Phys., 1978, 68, 1752-1759. [all data]

Cartwright, D.C.; Hay, P.J., Theoretical studies of the valence electronic states and the 1«PI»u <-- X1«SIGMA»g+ absorption spectrum of the F2 molecule, J. Chem. Phys., 1979, 70, 3191-3203. [all data]

Noell, J.O.; Newton, M.D.; Hay, P.J.; Martin, R.L.; Bobrowicz, F.W., An ab initio study of the bonding in diatomic nickel, J. Chem. Phys., 1980, 73, 2360-2371. [all data]

Cartwright, D.C.; Hay, P.J., Radiative lifetimes for the A2«PI» and B2«SIGMA»+ electronic states of the CN molecule, Astrophys. J., 1982, 257, 383-387. [all data]

Hay, P.J.; Martin, R.L., All-electron and valence-electron calculations on AgH, Ag2, and AgO, J. Chem. Phys., 1985, 83, 5174-5181. [all data]

Rohlfing, C.M.; Hay, P.J.; Martin, R.L., An effective core potential investigation of Ni, Pd, and Pt and their monohydrides, J. Chem. Phys., 1986, 85, 1447-1455. [all data]

Cartwright, D.C.; Hay, P.J., Potential energy curves and spectral properties for electronic states of F2 and F2+, Chem. Phys., 1987, 114, 305-320. [all data]

Knowles, P.J.; Werner, H.-J.; Hay, P.J.; Cartwright, D.C., The A2«PI»-X2«SIGMA»+ red and B2«SIGMA»+-X2«SIGMA»+ violet systems of the CN radical: accurate multireference configuration interaction calculations of the radiative transition probabilities, J. Chem. Phys., 1988, 89, 7334-7343. [all data]