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The A2Π-X2Σ⁺red and B2Σ⁺-X2Σ⁺violet systems of the CN radical: Accurate multireference configuration interaction calculations of the radiative transition probabilities

P. Knowles, H. Werner, P. Hay, and D. Cartwright. J. Chem. Phys., 89 (12): 7334–7343 (1988)
DOI: 10.1063/1.455264

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Univ. -Prof. Dr. Hans-Joachim Werner University of Stuttgart

Hans-Joachim Bungartz

Hans-Joachim Bieg

Hans-Joachim Gehrmann University of Stuttgart

Hans-Werner Roth University of Stuttgart

Other publications of authors with the same name

Impact of local and density fitting approximations on harmonic vibrational frequenciesT. Hrenar, G. Rauhut, and H. Werner. J. Phys. Chem. A, 110 (5): 2060–2064 (February 2006)A comparison of metallophilic attraction in (X-M-PH₃)₂(M = Cu, Ag, Au; X = H, Cl)L. Magnko, M. Schweizer, G. Rauhut, M. Schütz, H. Stoll, and H. Werner. Phys. Chem. Chem. Phys., 4 (6): 1006–1013 (2002)Molpro: a general-purpose quantum chemistry program packageP. Knowles, F. Manby, H. Werner, G. Knizia, and M. Schütz. Wiley Interdiscip. Rev. Comput. Mol. Sci., 2 (2): 242–253 (2011)Energetics and spin‐ and Λ‐doublet selectivity in the infrared multiphoton dissociation HN₃ ( X̃¹ A ')→N⁺ ( X¹ Σ⁺ g )+NH( X³Σ₂ , a¹Δ): TheoryM. Alexander, H. Werner, and P. Dagdigian. J. Chem. Phys., 89 (3): 1388–1400 (1988)A quadratically convergent MCSCF method for the simultaneous optimization of several statesH. Werner, and W. Meyer. J. Chem. Phys., 74 (10): 5794–5801 (1981)Multireference perturbation theory for large restricted and selected active space reference wave functionsP. Celani, and H. Werner. J. Chem. Phys., 112 (13): 5546–5557 (2000)The orbital-specific-virtual local coupled cluster singles and doubles methodJ. Yang, G. Chan, F. Manby, M. Schütz, and H. Werner. J. Chem. Phys., 136 (14): 144105 (April 2012)Analytical energy gradients for multiconfiguration self-consistent field wave functions with frozen core orbitalsT. Busch, A. Esposti, and H. Werner. J. Chem. Phys., 94 (10): 6708–6715 (1991)The aurophilic attraction as interpreted by local correlation methodsN. Runeberg, M. Schütz, and H. Werner. J. Chem. Phys., 110 (15): 7210–7215 (April 1999)Photodissociation dynamics of H₂S on new coupled ab initio potential energy surfacesD. Simah, B. Hartke, and H. Werner. J. Chem. Phys., 111 (10): 4523–4534 (1999)

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Disambiguation of "Werner, Hans Joachim"