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Author:Werner, H.-J.

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30 matching references were found.

Werner, H.-J.; Rosmus, P., Theoretical dipole moment functions of the HF, HCl, and HBr molecules, J. Chem. Phys., 1980, 73, 2319-2328. [all data]

Werner, H.-J., MCSCF calculation of the dipole moment function of CO, Mol. Phys., 1981, 44, 111-123. [all data]

Werner, H.-J.; Meyer, W., MCSCF study of the avoided curve crossing of the two lowest 1«SIGMA»+ states of LiF, J. Chem. Phys., 1981, 74, 5802-5807. [all data]

Werner, H.-J.; Reinsch, E.-A.; Rosmus, P., Ab initio calculation of the dipole moment function of hydrogen iodide, Chem. Phys. Lett., 1981, 78, 311-315. [all data]

Rosmus, P.; Werner, H.-J.; Grimm, M., Ab initio calculations of infrared transition rates in the ground states of BF and BF+, Chem. Phys. Lett., 1982, 92, 250-256. [all data]

Rosmus, P.; Werner, H.-J., Ab initio calculations of radiative transition probabilities in the X2«SIGMA»+ and A2«PI» electronic states of CO+, Mol. Phys., 1982, 47, 661-672. [all data]

Werner, H.-J.; Rosmus, P.; Grimm, M., Ab initio calculations of radiative transition probabilities in the X1«SIGMA»+ state of SiO and the X2«SIGMA»+ and A2«PI» states of SiO+, Chem. Phys., 1982, 73, 169-178. [all data]

Werner, H.-J.; Rosmus, P., Ab initio calculations of radiative transition probabilities in the X1«SIGMA»+ ground state of the NO+ ion, J. Mol. Spectrosc., 1982, 96, 362-367. [all data]

Werner, H.-J.; Rosmus, P.; Reinsch, E.-A., Molecular properties from MCSCF-SCEP wave functions. I. Accurate dipole moment functions of OH, OH-, and OH+, J. Chem. Phys., 1983, 79, 905-916. [all data]

Rosmus, P.; Werner, H.-J., Multireference-Cl calculations of radiative transition probabilities in C2-, J. Chem. Phys., 1984, 80, 5085-5088. [all data]

Senekowitsch, J.; Rosmus, P.; Domcke, W.; Werner, H.-J., An accurate potential energy function of the H2- ion at large internuclear distances, Chem. Phys. Lett., 1984, 111, 211-214. [all data]

Werner, H.-J.; Kalcher, J.; Reinsch, E.-A., Accurate ab intio calculations of radiative transition probabilities between the A3«SIGMA»u+, B3«PI»g, W3«DELTA»u, B'3«SIGMA»u-, and C3«PI»u states of N2, J. Chem. Phys., 1984, 81, 2420-2431. [all data]

Werner, H.-J.; Rosmus, P.; Schatzi, W.; Meyer, W., PNO-CEPA and MCSCF-SCEP calculations of transition probabilities in OH, HF+, and HCl+, J. Chem. Phys., 1984, 80, 831-839. [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]

Senekowitsch, J.; Werner, H.-J.; Rosmus, P.; Reinsch, E.-A., Ab initio calculations of radiative transition probabilities in SH, SH+, and SH-, J. Chem. Phys., 1985, 83, 4661-4667. [all data]

Werner, H.-J.; Martin, R.L., Unlinked cluster and relativistic contributions to the bonding in Cu2, Chem. Phys. Lett., 1985, 113, 451-456. [all data]

Banks, A.J.; Clary, D.C.; Werner, H.-J., Vibrational relaxation of N2 by collision with He atoms, J. Chem. Phys., 1986, 84, 3788-3797. [all data]

Langhoff, S.R.; Werner, H.-J.; Rosmus, P., Theoretical transition probabilities for the OH Meinel system, J. Mol. Spectrosc., 1986, 118, 507-529. [all data]

Manz, U.; Zilch, A.; Rosmus, P.; Werner, H.-J., MCSCF-Cl calculations of infrared transition probabilities in the CH- and NH- ions, J. Chem. Phys., 1986, 84, 5037-5044. [all data]

ONeil, S.V.; Rosmus, P.; Norcross, D.W.; Werner, H.-J., Bound electronic states of HCl-, J. Chem. Phys., 1986, 85, 7232-7240. [all data]

Rosmus, P.; Werner, H.-J.; Reinsch, E.-A.; Larsson, M., Multireference CI calculations of radiative transition probabilities between low lying quartet states of the C2+ ion, J. Electron Spectrosc. Relat. Phenom., 1986, 41, 289-296. [all data]

Werner, H.-J.; Buckingham, A.D., An accurate ab initio calculation of the dipole moment function of GeH, Chem. Phys. Lett., 1986, 125, 433-437. [all data]

Follmeg, B.; Rosmus, P.; Werner, H.-J., Vibrational-rotation transition probabilities in CH+ and CD+, Chem. Phys. Lett., 1987, 136, 562-565. [all data]

ONeil, S.V.; Rosmus, P.; Werner, H.-J., The radiative lifetime of A1«PI»u C2, J. Chem. Phys., 1987, 87, 2847-2853. [all data]

Alexander, M.H.; Werner, H.-J.; Dagdigian, P.J., Energetics and spin- and «LAMBDA»-doublet selectivity in the infrared multiphoton dissociation HN3(X«tilde»1A') --> N2(X1«SIGMA»g+) + NH(X3«SIGMA»-, a1«DELTA»): theory, J. Chem. Phys., 1988, 89, 1388-1400. [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]

Furio, N.; Ali, A.; Dagdigian, P.J.; Werner, H.-J., Laser excitation of the overlapping CN B-A (8, 7) and B-X (8, 11) bands: the relative phase of the B-A and B-X transition moments, J. Mol. Spectrosc., 1989, 134, 199-213. [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]

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]