2000-2009

  • V. Špirko, P. Piecuch, and O. Bludský, "Bound and Quasi-Bound States of the Na...FH van der Waals Molecule," J. Chem. Phys. 112, 189-202 (2000).
  • K. Kowalski and P. Piecuch, "Complete Set of Solutions of Multi-Reference Coupled-Cluster Equations: The State-Universal Formalism," Phys. Rev. A 61, 052506-1 - 052506-8 (2000).
  • K. Kowalski and P. Piecuch, "The Method of Moments of Coupled-Cluster Equations and the Renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) Approaches," J. Chem. Phys. 113, 18-35 (2000).
  • P. Piecuch and J.I. Landman, "Parallelization of Multi-Reference Coupled-Cluster Method," Parallel Comp. 26, 913-943 (2000) [the Computational Chemistry issue of Parallel Computing; invited paper; in response to an invitation issued to P. Piecuch].
  • K. Kowalski and P. Piecuch, "Renormalized CCSD(T) and CCSD(TQ) Approaches: Dissociation of the N2 Triple Bond," J. Chem. Phys. 113, 5644-5652 (2000).
  • K. Kowalski and P. Piecuch, "The Active-Space Equation-of-Motion Coupled-Cluster Methods for Excited Electronic States: The EOMCCSDt Approach," J. Chem. Phys. 113, 8490-8502 (2000).
  • S. Sekušak, P. Piecuch, R.J. Bartlett, and M.G. Cory, "A General Reaction Path Dual-Level Direct Dynamics Calculation of the Reaction of Hydroxyl Radical with Dimethyl Sulfide," J. Phys. Chem. A 104, 8779-8786 (2000).
  • F. Mrugała, P. Piecuch, V. Špirko, and O. Bludský, "Lifetimes and Dissociation Pathways of Quasi-Bound States of the Na...FH van der Waals Molecule," J. Mol. Struct. 555, 43-60 (2000) [invited paper; in response to an invitation issued to P. Piecuch].
  • K. Kowalski and P. Piecuch, "Complete Set of Solutions of the Generalized Bloch Equation," Int. J. Quantum Chem. 80, 757-781 (2000) [Special Issue: Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory, edited by N.Y. Öhrn and J.R. Sabin].
  • R. Burcl, P. Piecuch, V. Špirko, and O. Bludský, "Bound and Quasi-Bound States of the Li...FH van der Waals Molecule," Int. J. Quantum Chem. 80, 916-933 (2000) [Special Issue: Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory, edited by N.Y. Öhrn and J.R. Sabin].
  • A.J. Hudson, H.B. Oh, J.C. Polanyi, and P. Piecuch, "Dynamics of Harpooning Studied by Transition State Spectroscopy. II. Li..FH," J. Chem. Phys. 113, 9897-9900 (2000).
  • J.I. Landman and P. Piecuch, "Parallelization of a Legacy Research Program Using OpenMP," Fortran Forum 19, 16-23 (2000).
  • K. Kowalski and P. Piecuch, "The State-Universal Multi-Reference Coupled-Cluster Theory with Perturbative Description of Core-Virtual Excitations," Chem. Phys. Lett. 334, 89-98 (2001).
  • A.K. Füzéry, R. Burcl, L.L. Torday, P. Császár, O. Farkas, A. Perczel, M.A. Zamora, J.G. Papp, B. Penke, P. Piecuch, and I.G. Csizmadia, "Can NO2+ Exist in Bent or Cyclic Forms?," Chem. Phys. Lett. 334, 381-386 (2001).
  • K. Kowalski and P. Piecuch, "Extension of the Method of Moments of Coupled-Cluster Equations to a Multireference Wave Operator Formalism," J. Mol. Struct.: THEOCHEM 547, 191-208 (2001) [invited paper in a special issue of THEOCHEM in honor of Professor Josef Paldus entitled "Electron Correlation;" edited by A.J. Thakkar and C.E. Dykstra; in response to an invitation issued to P. Piecuch].
  • K. Kowalski and P. Piecuch, "The Active-Space Equation-of-Motion Coupled-Cluster Methods for Excited Electronic States: Full EOMCCSDt," J. Chem. Phys. 115, 643-651 (2001).
  • K. Kowalski and P. Piecuch, "A Comparison of the Renormalized and Active-Space Coupled-Cluster Methods: Potential Energy Curves of BH and F2," Chem. Phys. Lett. 344, 165-175 (2001).
  • P. Piecuch, S.A. Kucharski, and K. Kowalski, "Can Ordinary Single-Reference Coupled-Cluster Methods Describe the Potential Energy Curve of N2? The Renormalized CCSDT(Q) Study," Chem. Phys. Lett. 344, 176-184 (2001).
  • K. Kowalski and P. Piecuch, "New Type of the Noniterative Energy Correction for Excited Electronic States: Extension of the Method of Moments of Coupled-Cluster Equations to Equation-of-Motion Coupled-Cluster Formalism," J. Chem. Phys. 115, 2966-2978 (2001).
  • P. Piecuch, S.A. Kucharski, V. Špirko, and K. Kowalski, "Can Ordinary Single-Reference Coupled-Cluster Methods Describe Potential Energy Surfaces with Nearly Spectroscopic Accuracy? The Renormalized Coupled-Cluster Study of the Vibrational Spectrum of HF," J. Chem. Phys. 115, 5796-5804 (2001).
  • A.W. Jasper, M.D. Hack, A. Chakraborty, D.G. Truhlar, and P. Piecuch, "Photodissociation of LiFH and NaFH van der Waals Complexes: A Semiclassical Trajectory Study," J. Chem. Phys. 115, 7945-7952 (2001); J. Chem. Phys. 119, 9321 (2003) [Erratum].
  • K. Kowalski and P. Piecuch, "Excited-State Potential Energy Curves of CH+: A Comparison of the EOMCCSDt and Full EOMCCSDT Results," Chem. Phys. Lett. 347, 237-246 (2001).
  • A.W. Jasper, M.D. Hack, D.G. Truhlar, and P. Piecuch, "Coupled Quasidiabatic Potential Energy Surfaces for LiFH," J. Chem. Phys. 116, 8353-8366 (2002).
  • K. Kowalski and P. Piecuch, "Extension of the Method of Moments of Coupled-Cluster Equations to Excited States: The Triples and Quadruples Corrections to the Equation-of-Motion Coupled-Cluster Singles and Doubles Energies," J. Chem. Phys. 116, 7411-7423 (2002).
  • P. Piecuch, K. Kowalski, and I.S.O. Pimienta, "Method of Moments of Coupled-Cluster Equations: Externally Corrected Approaches Employing Configuration Interaction Wave Functions," Int. J. Mol. Sci. 3, 475-497 (2002) [invited paper; in response to an invitation issued to P. Piecuch].
  • P. Piecuch and K. Kowalski, "The State-Universal Multi-Reference Coupled-Cluster Theory: An Overview of Some Recent Advances," Int. J. Mol. Sci. 3, 676-709 (2002) [invited paper; in response to an invitation issued to P. Piecuch].
  • R. Burcl, P. Piecuch, V. Špirko, and O. Bludský, "Bound and Quasi-Bound States of the Li...FH van der Waals Molecule: The Effect of the Potential Energy Surface and of the Basis Set Superposition Error," J. Mol. Struct.: THEOCHEM 591, 151-174 (2002) [invited paper in a special issue of THEOCHEM in honor of Professor William Meath entitled "Intermolecular Forces;" edited by A.J. Thakkar; in response to an invitation issued to P. Piecuch].
  • M.J. McGuire, K. Kowalski, and P. Piecuch, "Renormalized Coupled-Cluster Calculations of Reactive Potential Energy Surfaces: A Comparison of the CCSD(T), Renormalized CCSD(T), and Full CI Results for the Collinear BeFH System," J. Chem. Phys. 117, 3617-3624 (2002).
  • P. Piecuch, S.A. Kucharski, K. Kowalski, and M. Musiał, "Efficient Computer Implementation of the Renormalized Coupled-Cluster Methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) Approaches," Comp. Phys. Commun. 149, 71-96 (2002).
  • P. Piecuch, K. Kowalski, P.-D. Fan, and K. Jedziniak, "Exactness of Two-Body Cluster Expansions in Many-Body Quantum Theory," Phys. Rev. Lett. 90, 113001-1 - 113001-4 (2003).
  • I.S.O. Pimienta, K. Kowalski, and P. Piecuch, "Method of Moments of Coupled-Cluster Equations: The Quasi-Variational and Quadratic Approximations," J. Chem. Phys. 119, 2951-2962 (2003).
  • K. Kowalski and P. Piecuch, "New Coupled-Cluster Methods with Singles, Doubles, and Noniterative Triples for High Accuracy Calculations of Excited Electronic States," J. Chem. Phys. 120, 1715-1738 (2004).
  • R.L. DeKock, M.J. McGuire, P. Piecuch, W.D. Allen, H.F. Schaefer III, K. Kowalski, S.A. Kucharski, M. Musiał, A.R. Bonner, S.A. Spronk, D.B. Lawson, and S.L. Laursen, "The Electronic Structure and Vibrational Spectrum of trans-HNOO," J. Phys. Chem. A 108, 2893-2903 (2004) [Henry F. Schaefer III Festschrift, invited contribution].
  • K. Kowalski, D.J. Dean, M. Hjorth-Jensen, T. Papenbrock, and P. Piecuch, "Coupled Cluster Calculations of Ground and Excited States of Nuclei," Phys. Rev. Lett. 92, 132501-1 - 132501-4 (2004).
  • M.J. McGuire, P. Piecuch, K. Kowalski, S.A. Kucharski, and M. Musiał, "Renormalized Coupled-Cluster Calculations of Reactive Potential Energy Surfaces: The BeFH System," J. Phys. Chem. A. 108, 8878-8893 (2004) [the Gert D. Billing Festschrift, invited contribution, in response to an invitation issued to P. Piecuch].
  • K. Kowalski and P. Piecuch, "New Classes of Noniterative Energy Corrections to Multi-Reference Coupled-Cluster Energies," Mol. Phys. 102, 2425-2449 (2004) [special issue in honor of Professor Nicholas C. Handy; edited by H.F. Schaefer III; invited contribution, in response to an invitation issued to P. Piecuch].
  • S. Hirata, P.-D. Fan, A.A. Auer, M. Nooijen, and P. Piecuch, "Combined Coupled-Cluster and Many-Body Perturbation Theories," J. Chem. Phys. 121, 12197-12207 (2004).
  • R.M. Olson, S. Varganov, M.S. Gordon, H. Metiu, S. Chretien, P. Piecuch, K. Kowalski, S.A. Kucharski, and M. Musiał, "Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters?," J. Am. Chem. Soc. 127, 1049-1052 (2005).
  • M.J. McGuire and P. Piecuch, "Balancing Dynamic and Non-Dynamic Correlation for Diradical and Aromatic Transition States: A Renormalized Coupled-Cluster Study of the Cope Rearrangement of 1,5-Hexadiene," J. Am. Chem. Soc. 127, 2608-2614 (2005).
  • K. Kowalski and P. Piecuch, "Extensive Generalization of Renormalized Coupled-Cluster Methods," J. Chem. Phys. 122, 074107-1 - 074107-12 (2005).
  • C.D. Sherrill and P. Piecuch, "The X1Σ+g, B1Δg, and B'1Σ+g States of C2: A Comparison of Renormalized Coupled-Cluster and Multireference Methods with Full Configuration Interaction Benchmarks," J. Chem. Phys. 122, 124104-1 - 124104-17 (2005).
  • R.K. Chaudhuri, K.F. Freed, G. Hose, P. Piecuch, K. Kowalski, M. Włoch, S. Chattopadhyay, D. Mukherjee, Z. Rolik, Á. Szabados, G. Tóth, and P.R. Surján, "Comparison of Low-Order Multireference Many-Body Perturbation Theories," J. Chem. Phys. 122, 134105-1 - 134105-9 (2005).
  • D.J. Dean, J.R. Gour, G. Hagen, M. Hjorth-Jensen, K. Kowalski, T. Papenbrock, P. Piecuch, and M. Włoch, "Nuclear Structure Calculations with Coupled Cluster Methods from Quantum Chemistry," Nucl. Phys. A. 752, 299-308 (2005) [Special Issue: Proceedings of the 22nd International Nuclear Physics Conference, Goeteborg, Sweden; edited by B. Jonson, M. Meister, G. Nyman, and M. Zhukov].
  • P.-D. Fan, K. Kowalski, and P. Piecuch, "Non-iterative Corrections to Extended Coupled-Cluster Energies Employing the Generalized Method of Moments of Coupled-Cluster Equations," Mol. Phys. 103, 2191-2213 (2005) [special issue in honor of Professor Rodney J. Bartlett; edited by J.F. Stanton; invited contribution, in response to an invitation issued to P. Piecuch].
  • M. Włoch, J.R. Gour, K. Kowalski, and P. Piecuch, "Extension of Renormalized Coupled-Cluster Methods Including Triple Excitations to Excited Electronic States of Open-Shell Molecules," J. Chem. Phys. 122, 214107-1 - 214107-15 (2005).
  • M. Włoch, D.J. Dean, J.R. Gour, P. Piecuch, M. Hjorth-Jensen, T. Papenbrock, and K. Kowalski, "Ab Initio Coupled-Cluster Calculations for Nuclei Using Methods of Quantum Chemistry," Eur. Phys. J. A 25 (Suppl. 1), 485-488 (2005) (Eur. Phys. J. A Direct; electronic only) [Special Issue: Proceedings of the International Conference on Exotic Nuclei and Atomic Masses, ENAM-04; edited by C. Gross, W. Nazarewicz, and K. Rykaczewski].
  • M. Włoch, J.R. Gour, P. Piecuch, D.J. Dean, M. Hjorth-Jensen, and T. Papenbrock, "Coupled-Cluster Calculations for Ground and Excited States of Closed- and Open-Shell Nuclei Using Methods of Quantum Chemistry," J. Phys. G: Nucl. Part. Phys. 31, S1291-S1299 (2005) [special issue dedicated to the workshop "Nuclear Forces and the Quantum Many-Body Problem," edited by D.J. Dean, B.R. Barrett, M. Hjorth-Jensen, and J.P. Vary; invited contribution, in response to an invitation issued to P. Piecuch].
  • M. Włoch, D.J. Dean, J.R. Gour, M. Hjorth-Jensen, K. Kowalski, T. Papenbrock, and P. Piecuch, "Ab Initio Coupled-Cluster Study of 16O," Phys. Rev. Lett. 94, 212501-1 - 212501-4 (2005).
  • K. Kowalski, S. Hirata, M. Włoch, P. Piecuch, and T.L. Windus, "Active-Space Coupled-Cluster Study of Electronic States of Be3," J. Chem. Phys. 123, 074319-1 - 074319-6 (2005).
  • J.R. Gour, P. Piecuch, and M. Włoch, "Active-Space Equation-of-Motion Coupled-Cluster Methods for Excited States of Radicals and Other Open-Shell Systems: EA-EOMCCSDt and IP-EOMCCSDt," J. Chem. Phys. 123, 134113-1 - 134113-14 (2005).
  • P. Piecuch and M. Włoch, "Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian," J. Chem. Phys. 123, 224105-1 - 224105-10 (2005).
  • S. Nangia, D.G. Truhlar, M.J. McGuire, and P. Piecuch, "Can a Single-Reference Approach Provide a Balanced Description of Ground and Excited States? A Comparison of the Completely Renormalized Equation-of-Motion Coupled-Cluster Method with Multi-Reference Quasi-Degenerate Perturbation Theory Near a Conical Intersection and Along a Photodissociation Coordinate in Ammonia," J. Phys. Chem. A 109, 11643-11646 (2005).
  • P. Piecuch, M. Włoch, J.R. Gour, and A. Kinal, "Single-Reference, Size-Extensive, Non-Iterative Coupled-Cluster Approaches to Bond Breaking and Biradicals," Chem. Phys. Lett. 418, 467-474 (2006); published on-line on November 28, 2005.
  • P. Piecuch, S. Hirata, K. Kowalski, P.-D. Fan, and T.L. Windus, "Automated Derivation and Parallel Computer Implementation of Renormalized and Active-Space Coupled-Cluster Methods," Int. J. Quantum Chem. 106, 79-97 (2006) [Special Issue: Mathematical Methods and Symbolic Calculation in Chemistry and Chemical Biology; edited by M.P. Barnett and F.E. Harris; invited contribution, in response to an invitation issued to P. Piecuch].
  • A. Kinal and P. Piecuch, "Is the Mechanism of the [2+2] Cycloaddition of Cyclopentyne to Ethylene Concerted or Biradical? A Completely Renormalized Coupled Cluster Study," J. Phys. Chem. A 110, 367-378 (2006) [special issue in honor of Professor Donald G. Truhlar, invited contribution, in response to an invitation issued to P. Piecuch].
  • C.J. Cramer, M. Włoch, P. Piecuch, C. Puzzarini, and L. Gagliardi, "Theoretical Models on the Cu2O2 Torture Track. Mechanistic Implications for Oxytyrosinase and Small-Molecule Analogues," J. Phys. Chem. A 110, 1991-2004 (2006); ibid. 111, 4871 (2007) [Addition/Correction].
  • S. Coussan, Y. Ferro, A. Trivella, M. Rajzmann, P. Roubin, R. Wieczorek, C. Manca, P. Piecuch, K. Kowalski, M. Włoch, S.A. Kucharski, and M. Musiał, "Experimental and Theoretical UV Characterizations of Acetyloacetone and its Isomers," J. Phys. Chem. A 110, 3920-3926 (2006).
  • M. Włoch, M.D. Lodriguito, P. Piecuch, and J.R. Gour, "Two New Classes of Non-Iterative Coupled-Cluster Methods Derived from the Method of Moments of Coupled-Cluster Equations," Mol. Phys. 104, 2149-2172 (2006); Mol. Phys. 104, 2991 (2006) [Erratum; last name of Włoch corrected] [special issue in honor of Professor Andrzej J. Sadlej, invited contribution, in response to an invitation issued to P. Piecuch].
  • J.R. Gour, P. Piecuch, M. Hjorth-Jensen, M. Włoch, and D.J. Dean, "Coupled-Cluster Calculations for Valence Systems around 16O," Phys. Rev. C 74, 024310-1 - 024310-18 (2006).
  • J.R. Gour, P. Piecuch, and M. Włoch, "Extension of the Active-Space Equation-of-Motion Coupled-Cluster Methods to Radical Systems: The EA-EOMCCSDt and IP-EOMCCSDt Approaches," Int. J. Quantum Chem. 106, 2854-2874 (2006) [special issue dedicated to the proceedings of the Fifth Congress of the International Society for Theoretical Chemical Physics (ISTCP-V), edited by P. Politzer, J. Murray, and E. Brändas].
  • M.D. Lodriguito, K. Kowalski, M. Włoch, and P. Piecuch, "Non-Iterative Coupled-Cluster Methods Employing Multi-Reference Perturbation Theory Wave Functions," J. Mol. Struct: THEOCHEM 771, 89-104 (2006) [the WATOC 2005 special issue, edited by K.J. Naidoo, H.F. Schaefer III, T. Ford, E.D. Jemmis, and G. Frenking; invited contribution, in response to an invitation issued to P. Piecuch].
  • P.-D. Fan and P. Piecuch, "Intriguing Accuracies of the Exponential Wave Function Expansions Exploiting Finite Two-Body Correlation Operators in Calculations for Many-Electron Systems," J. Mol. Struct: THEOCHEM 768, 3-16 (2006) [special issue in honor of Professor Debashis Mukherjee, invited contribution, in response to an invitation issued to P. Piecuch].
  • A.J.C. Varandas and P. Piecuch, "Extrapolating Potential Energy Surfaces by Scaling Electron Correlation at a Single Geometry," Chem. Phys. Lett. 430, 448-453 (2006).
  • C.J. Cramer, A. Kinal, M. Włoch, P. Piecuch, and L. Gagliardi, "Theoretical Characterization of End-on and Side-on Peroxide Coordination in Ligated Cu2O2 Models," J. Phys. Chem. A 110, 11557-11568 (2006); ibid. 111, 4871 (2007) [Addition/Correction].
  • J.R. Gour and P. Piecuch, "Efficient Formulation and Computer Implementation of the Active-Space Electron-Attached and Ionized Equation-of-Motion Coupled-Cluster Methods," J. Chem. Phys. 125, 234107-1 - 234107-17 (2006).
  • T. Papenbrock, D.J. Dean, J.R. Gour, G. Hagen, M. Hjorth-Jensen, P. Piecuch, and M. Włoch, "Coupled Cluster Theory for Nuclei," Int. J. Mod. Phys. B 20 (Nos. 30-31), 5338-5345 (2006) [special issue dedicated to the 13th International Conference on Recent Progress in Many-Body Theories, edited by S. Hernández and H. Cataldo, invited contribution].
  • A. Kinal and P. Piecuch, "Computational Investigation of the Conrotatory and Disrotatory Isomerization Channels of Bicyclo[1.1.0]butane to Buta-1,3-diene: A Completely Renormalized Coupled-Cluster Study," J. Phys. Chem. A 111, 734-742 (2007).
  • M. Horoi, J.R. Gour, M. Włoch, M.D. Lodriguito, B.A. Brown, and P. Piecuch, "Coupled-Cluster and Configuration-Interaction Calculations for Heavy Nuclei," Phys. Rev. Lett. 98, 112501-1 - 112501-4 (2007).
  • Y. Ohtsuka, P. Piecuch, J.R. Gour, M. Ehara, and H. Nakatsuji, "Active-Space Symmetry-Adapted-Cluster Configuration-Interaction and Equation-of-Motion Coupled-Cluster Methods for High Accuracy Calculations of Potential Energy Surfaces of Radicals," J. Chem. Phys. 126, 164111-1 - 164111-28 (2007).
  • M. Włoch, J.R. Gour, and P. Piecuch, "Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open-Shell Systems: A Benchmark Study," J. Phys. Chem. A 111, 11359-11382 (2007) [special issue in honor of Professor Thom H. Dunning, Jr., invited contribution, in response to an invitation issued to P. Piecuch].
  • G. Hagen, T. Papenbrock, D.J. Dean, A. Schwenk, A. Nogga, M. Włoch, and P. Piecuch, "Coupled-Cluster Theory for Three-Body Hamiltonians," Phys. Rev. C 76, 034302-1 - 034302-11 (2007).
  • Y. Ge, M.S. Gordon, and P. Piecuch, "Breaking Bonds with the Left Eigenstate Completely Renormalized Coupled-Cluster Method," J. Chem. Phys. 127, 174106-1 - 174106-6 (2007).
  • P. Piecuch, M. Włoch, and A.J.C. Varandas, "Application of Renormalized Coupled-Cluster Methods to Potential Function of Water," Theor. Chem. Acc. 120, 59-78 (2008); published on-line on May 15, 2007 [special issue in honor of Professor Mark S. Gordon, invited contribution, in response to an invitation issued to P. Piecuch].
  • J. Zheng, J.R. Gour, J.J. Lutz, M. Włoch, P. Piecuch, and D.G. Truhlar, "A Comparative Assessment of the Perturbative and Renormalized Coupled Cluster Theories with a Non-iterative Treatment of Triple Excitations for Thermochemical Kinetics, Including a Study of Basis Set and Core Correlation Effects," J. Chem. Phys. 128, 044108-1 - 044108-7 (2008).
  • C.J. Cramer, J.R. Gour, A. Kinal, M. Włoch, P. Piecuch, A.R.M. Shahi, and L. Gagliardi, "Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Dioxygen Complexes," J. Phys. Chem. A 112, 3754-3767 (2008).
  • J.J. Lutz and P. Piecuch, "Extrapolating Potential Energy Surfaces by Scaling Electron Correlation: Isomerization of Bicyclobutane to Butadiene," J. Chem. Phys. 128, 154116-1 - 154116-12 (2008).
  • Y.Z. Song, A. Kinal, P.J.S.B. Caridade, A.J.C. Varandas, and P. Piecuch, "A Comparison of Single-Reference Coupled-Cluster and Multi-Reference Configuration Interaction Methods for Representative Cuts of the H2S(1A') Potential Energy Surface," J. Mol. Struct: THEOCHEM 859, 22-29 (2008).
  • P. Piecuch, J.R. Gour, and M. Włoch, "Biorthogonal Method of Moments of Coupled-Cluster Equations: Alternative Derivation, Further Considerations, and Application to a Model Magnetic System," Int. J. Quantum Chem. 108, 2128-2149 (2008) [special issue in honor of Professor Karol Jankowski; edited by L. Meissner and I. Grabowski; invited contribution, in response to an invitation issued to P. Piecuch].
  • J.R. Gour, M. Horoi, P. Piecuch, and B.A. Brown, "Coupled-Cluster and Configuration-Interaction Calculations for Odd-A Heavy Nuclei," Phys. Rev. Lett. 101, 052501-1 - 052501-4 (2008).
  • X. Li, J.R. Gour, J. Paldus, and P. Piecuch, "On the Significance of Quadruply Excited Clusters in Coupled-Cluster Calculations for the Low-Lying States of BN and C2," Chem. Phys. Lett. 461, 321-326 (2008).
  • Y. Ge, M.S. Gordon, P. Piecuch, M. Włoch, and J.R. Gour, "Breaking Bonds of Open-Shell Species with the Restricted Open-Shell Size Extensive Left Eigenstate Completely Renormalized Coupled-Cluster Method," J. Phys. Chem. A 112, 11873-11884 (2008).
  • R. Roth, J.R. Gour, and P. Piecuch, "Ab Initio Coupled-Cluster and Configuration Interaction Calculations for 16O Using the VUCOM Interaction," Phys. Rev. C 79, 054325-1 - 054325-19 (2009).
  • Y. Zhao, O. Tishchenko, J.R. Gour, W. Li, J.J. Lutz, P. Piecuch, and D.G. Truhlar, "Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone," J. Phys. Chem. A 113, 5786-5799 (2009).
  • M. Ehara, J.R. Gour, and P. Piecuch, "Low-Lying Valence Excited States of CNC, C2N, N3, and NCO Studied Using the Electron-Attached and Ionized Symmetry-Adapted-Cluster Configuration-Interaction and Equation-of-Motion Coupled-Cluster Methodologies," Mol. Phys. 107, 871-880 (2009) [special issue in honor of Professor Henry F. Schaefer, III; edited by T.D. Crawford and C.D. Sherrill; invited contribution, in response to an invitation issued to P. Piecuch].
  • J. Pittner and P. Piecuch, "Method of Moments for the Continuous Transition Between the Brillouin-Wigner-Type and Rayleigh-Schrödinger-Type Multireference Coupled Cluster Theories," Mol. Phys. 107, 1209-1221 (2009) [special issue in honor of Professor Henry F. Schaefer, III; edited by T.D. Crawford and C.D. Sherrill; invited contribution].
  • P. Piecuch, J.R. Gour, and M. Włoch, "Left-Eigenstate Completely Renormalized Equation-of-Motion Coupled-Cluster Methods: Review of Key Concepts, Extension to Excited States of Open-Shell Systems, and Comparison with Electron-Attached and Ionized Approaches," Int. J. Quantum Chem. 109, 3268-3304 (2009) [special issue dedicated to the proceedings of the Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI), edited by Y.A. Wang, E. Brändas, and J. Maruani].
  • R. Roth, J.R. Gour, and P. Piecuch, "Center-of-Mass Problem in Truncated Configuration Interaction and Coupled-Cluster Calculations," Phys. Lett. B 679, 334-339 (2009).
  • W. Li, P. Piecuch, J.R. Gour, and S. Li, "Local Correlation Calculations Using Standard and Renormalized Coupled-Cluster Approaches," J. Chem. Phys. 131, 114109-1 - 114109-30 (2009).