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Author:Ermler

12 matching references were found.

Ermler, W.C.; Mulliken, R.S.; Wahl, A.C., Molecular orbital correlation diagrams for He2, He2+, N2, N2+, CO, and CO+, J. Chem. Phys., 1977, 66, 3031-3038. [all data]

Ermler, W.C.; Lee, Y.S.; Pitzer, K.S.; Winter, N.W., Ab initio effective core potentials including relativistic effects. II. Potential energy curves for Xe2, Xe2+, and Xe2*, J. Chem. Phys., 1978, 69, 976-983. [all data]

Ermler, W.C.; Lee, Y.S.; Pitzer, K.S., Ab initio effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au2, J. Chem. Phys., 1979, 70, 293-298. [all data]

Lee, Y.S.; Ermler, W.C.; Pitzer, K.S.; McLean, A.D., Ab initio effective core potentials including relativistic effects. III. Ground state Au2 calculations, J. Chem. Phys., 1979, 70, 288-292. [all data]

Ermler, W.C.; McLean, A.D., The effects of basis set quality and configuration mixing in ab initio calculations of the ionization potentials of the nitrogen molecule, J. Chem. Phys., 1980, 73, 2297-2303. [all data]

Lee, Y.S.; Ermler, W.C.; Pitzer, K.S., Ab initio effective core potentials including relativistic effects. V. SCF calculations with «omega»-«omega» coupling including results for Au2+, TlH, PbS, and PbSe, J. Chem. Phys., 1980, 73, 360-366. [all data]

Christiansen, P.A.; Pitzer, K.S.; Lee, Y.S.; Yates, J.H.; Ermler, W.C.; Winter, N.W., Improved ab initio effective potentials for Ar, Kr, and Xe with applications to their homonuclear dimers, J. Chem. Phys., 1981, 75, 5410-5415. [all data]

Yates, J.H.; Ermler, W.C.; Winter, N.W.; Christiansen, P.A.; Lee, Y.S.; Pitzer, K.S., Ab initio potential energy curves for the low-lying electronic states of the argon excimer, J. Chem. Phys., 1983, 79, 6145-6149. [all data]

Celestino, K.C.; Ermler, W.C., Ab initio calculations of potential energy curves of Hg2 and TlHg, J. Chem. Phys., 1984, 81, 1872-1881. [all data]

Ermler, W.C.; Huang, C.-W., Numerical MC SCF and CI calculations of the ground-state potential energy curve of N2, Chem. Phys. Lett., 1985, 120, 159-162. [all data]

Ermler, W.C.; Clark, J.P.; Mulliken, R.S., Ab initio calculations of potential energy curves and transition moments of 1«SIGMA»g+ and 1«SIGMA»u+ states of N2, J. Chem. Phys., 1987, 86, 370-375. [all data]

Hargiss, L.O.; Ermler, W.C., Vibrational-rotational analysis of ab initio potential energy surfaces for symmetric-top molecules: application to ammonia isotopomers, J. Phys. Chem., 1988, 92, 300. [all data]