Publications

• T. D. Crawford, C. D. Sherrill, E. F. Valeev, J. T. Fermann, R. A. King, M. L. Leininger, S. T. Brown, C. L. Janssen, E. T. Seidl, J. P. Kenny, W. D. Allen, "PSI3: An Open-Source Ab Initio Electronic Structure Package", J. Comput. Chem., submitted (2006).
• C. L. Janssen, J. P. Kenny, I. M. B. Nielsen, M. Krishnan, V. Gurumoorthi, E. F. Valeev, T. L. Windus, "Enabling new capabilities and insights from quantum chemistry by using component architectures", J. Phys.: Conf. Ser., 46, 220-228 (2006). This article is available online.
• J. P. Kenny, S. J. Benson, Y. Alexeev, J. Sarich, C. L. Janssen, L. C. McInnes, M. Krishnan, J. Nieplocha, E. Jurrus, C. Fahlstrom, T. L. Windus, ``Component-Based Integration of Chemistry and Optimization Software'', J. Comput. Chem., 25, 1717 (2004).
• E. F. Valeev, C. L. Janssen, ``Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementation'', J. Chem. Phys., 121, 1214 (2004).
• I. M. B. Nielsen, C. L. Janssen, M. D. Allendorf, ``Ab Initio Predictions for Thermochemical Parameters for Tin-Oxygen Compounds'', J. Phys. Chem. A, 107, 5122 (2003).
• M. L. Leininger, I. M. B. Nielsen, M. E. Colvin, and C. L. Janssen, ``Complete Basis Set MP2 Binding Energies for Stacked Uracil Dimers'', J. Phys. Chem. A, 106, 3850 (2002).
• I. M. B. Nielsen, S. L. Zou, J. M. Bowman, and C. L. Janssen, ``Characterization of the Sulfur Fluoride Radical in the Ground Electronic State'', Chem. Phys. Lett., 352, 26 (2002).
• I. M. B. Nielsen and C. L. Janssen, ``A Novel Pseudospectral Fourier Method for Solving Poisson's Equation for a Solute in a Non-Uniform Dielectric'', Comp. Phys. Comm., 136, 29 (2001).
• M. L. Leininger, I. M. B. Nielsen, T. D. Crawford, and C. L. Janssen, ``A New Diagnostic for Open-Shell Coupled-Cluster Theory'', Chem. Phys. Lett. 328, 431 (2000).
• I. M. B. Nielsen and C. L. Janssen, ``Multi-Threading: A New Dimension to Massively Parallel Scientific Computation'', Comp. Phys. Comm., 128, 238, (2000).
• I. M. B. Nielsen and C. L. Janssen, ``Double-Substitution-Based Diagnostics for Coupled-Cluster and Møller-Plesset Perturbation Theory'', Chem. Phys. Lett. 310, 568 (1999).
• I. M. B. Nielsen, E. T. Seidl, and C. L. Janssen, ``Accurate Structures and Binding Energies for Small Water Clusters: The Water Trimer'', J. Chem. Phys. 110, 9435 (1999).
• C. L. Janssen and I. M. B. Nielsen, ``New Diagnostics for Coupled-Cluster and Møller-Plesset Perturbation Theory'', Chem. Phys. Lett. 290, 423 (1998).
• M. E. Colvin, C. L. Janssen, E. T. Seidl, I. M. B. Nielsen, and C. F. Melius, ``Energies, Resonance and UHF Instabilities in Polycyclic Aromatic Hydrocarbons and Linear Polyenes'', Chem. Phys. Lett. 287, 537 (1998).
• C. L. Janssen, I. M. B. Nielsen, and M. E. Colvin, ``Parallel Processing for ab Initio Quantum Mechanical Methods'', in: ``Encyclopedia of Computational Chemistry'', eds. P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III and P. R. Scheiner (John Wiley & Sons, Chichester, UK, 1998).
• C. L. Janssen, E. T. Seidl, I. M. B. Nielsen, and M. E. Colvin, ``The Scientific Computing Matrix Library'', Sandia Report SAND97-8200 UC-405, Sandia National Laboratories, 1996.
• C. L. Janssen, E. T. Seidl, and M. E. Colvin, ``Object-Oriented Implementation of Parallel Ab Initio Programs'', in ACS Symposium Series 592, ``Parallel Computers in Computational Chemistry'', T. Mattson, Ed., 1995.
• M. E. Colvin, C. L. Janssen, R. A. Whiteside, C. Tong, ``Parallel Direct SCF for Large-Scale Calculations'', Theor. Chim. Acta 84, 301 (1993).
• R. C. Raffenetti, K. Ruedenberg, C. L. Janssen, and H. F. Schaefer, ``Efficient Use of Jacobi Rotations for Orbital Optimization and Localization'', Theor. Chim. Acta 86, 149 (1993).
• I. M. B. Nielsen, C. L. Janssen, N. A. Burton, and H. F. Schaefer, ``(1,2)-Hydrogen Shift in Monovalent Carbon Compounds: The Methylcarbyne-Vinyl Radical Isomerization'', J. Phys. Chem. 96, 2490 (1992).
• R. S. Grev, C. L. Janssen, and H. F. Schaefer, ``Concerning Zero-Point Vibrational Energy Corrections to Electronic Energies'', J. Chem. Phys., 95, 5128 (1991).
• C. L. Janssen and H. F. Schaefer, ``The Automated Solution of Second Quantization Equations with Applications to the Coupled Cluster Approach'', Theor. Chim. Acta. 79, 1 (1991).
• C. L. Janssen, ``The Automated Solution of Second Quantization Equations with Applications to the Coupled Cluster Approach'', Ph.D. Thesis, University of California at Berkeley, March 1990.
• G. E. Scuseria, C. L. Janssen, and H. F. Schaefer, ``An Efficient Reformulation of the Closed-Shell Coupled Cluster Single and Double Excitation (CCSD) Equations'', J. Chem. Phys. 89, 1031 (1989).
• C. L. Janssen and H. F. Schaefer, ``Cycloheptatrienylidene Singlet-Triplet Energetics: Theory Responds'', J. Amer. Chem. Soc. 109, 5030 (1987).
• C. L. Janssen, W. D. Allen, H. F. Schaefer, and J. M. Bowman, ``The Infrared Spectrum of Hydrogen Biflouride Anion: Unprecedented Variation with Level of Theory'', Chem. Phys. Lett. 131, 352 (1986).