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Author:Knowles, P.J.

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12 matching references were found.

Linnartz, H.; Verdes, D.; Knowles, P.J.; Lakin, N.M.; Rosmus, P.; Maier, J.P., Linear and centrosymmetric N[sub 2]...Ar[sup +]...N[sub 2], J. Chem. Phys., 2000, 113, 3, 895, https://doi.org/10.1063/1.481868 . [all data]

Verdes, D.; Linnartz, H.; Maier, J.P.; Botschwina, P.; Oswald, R.; Rosmus, P.; Knowles, P.J., Spectroscopic and theoretical characterization of linear centrosymmetric N[Triple Bond]N**H[sup +]**N[Triple Bond]N, J. Chem. Phys., 1999, 111, 18, 8400, https://doi.org/10.1063/1.480181 . [all data]

Knowles, P.J.; Werner, H.-J., An efficient second-order MC SCF method for long configuration expansions, Chem. Phys. Lett., 1985, 115, 259-267. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Taylor, P.R.; Handy, N.C.; Knowles, P.J., Benchmark full configuration-interaction calculations on HF and NH2, J. Chem. Phys., 1986, 85, 1469-1474. [all data]

Knowles, P.J.; Meath, W.J., Non-expanded dispersion energies and damping functions for Ar2 and Li2, Chem. Phys. Lett., 1986, 124, 164-171. [all data]

Knowles, P.J.; Meath, W.J., A separable method for the calculation of dispersion and induction energy damping functions with applications to the dimers arising from He, Ne and HF, Mol. Phys., 1987, 60, 1143-1158. [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]

Senekowitsch, J.; ONeil, S.V.; Werner, H.-J.; Knowles, P.J., Ab initio calculation of the X2«SIGMA»+ and A2«PI» states of CF++, J. Chem. Phys., 1990, 93, 562-569. [all data]

Whitaker, B.J.; Woodward, C.A.; Knowles, P.J.; Stace, A.J., On the origin of metastable decay in Ar2+, J. Chem. Phys., 1990, 93, 376-383. [all data]

Glenewinkel-Meyer, T.; Muller, B.; Ottinger, C.; Rosmus, P.; Knowles, P.J.; Werner, H.-J., Ab initio calculations on the four lowest electronic states of AlF+ and AlCl+, J. Chem. Phys., 1991, 95, 5133-5141. [all data]

Werner, H.-J.; Knowles, P.J., Accurate multireference configuration interaction calculations of the potential energy function and the dissociation energy of N2, J. Chem. Phys., 1991, 94, 1264-1270. [all data]

Amos, R.D.; Handy, N.C.; Knowles, P.J.; Rice, J.E.; Stone, A.J., AB-initio prediction of properties of carbon dioxide, ammonia, and carbon dioxide...ammonia, J. Phys. Chem., 1985, 89, 2186. [all data]