Piotr Piecuch
#92,674
Most Influential Person Now
Polish-born American physical chemist
Piotr Piecuch's AcademicInfluence.com Rankings
Piotr Piecuchchemistry Degrees
Chemistry
#2093
World Rank
#2945
Historical Rank
#673
USA Rank
Quantum Chemistry
#33
World Rank
#33
Historical Rank
#5
USA Rank
Physical Chemistry
#709
World Rank
#764
Historical Rank
#99
USA Rank
Download Badge
Chemistry
Piotr Piecuch's Degrees
- PhD Chemistry University of Warsaw
Why Is Piotr Piecuch Influential?
(Suggest an Edit or Addition)According to Wikipedia, Piotr Piecuch is a Polish-born American physical chemist. He holds the title of university distinguished professor in the department of chemistry at Michigan State University, East Lansing, Michigan, United States. He supervises a group, whose research focuses on theoretical and computational chemistry as well as theoretical and computational physics, particularly on the development and applications of many-body methods for accurate quantum calculations for molecular systems and atomic nuclei, including methods based on coupled cluster theory, mathematical methods of chemistry and physics, and theory of intermolecular forces. His group is also responsible for the development of the coupled-cluster computer codes incorporated in the widely used GAMESS package.
Piotr Piecuch's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Recent developments in the general atomic and molecular electronic structure system. (2020) (423)
- Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches (2002) (362)
- The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches (2000) (346)
- Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian. (2005) (339)
- A state-selective multireference coupled-cluster theory employing the single-reference formalism (1993) (284)
- New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states. (2004) (280)
- The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt (2001) (233)
- Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches (2002) (223)
- Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches (1999) (211)
- Local correlation calculations using standard and renormalized coupled-cluster approaches. (2009) (185)
- Renormalized CCSD(T) and CCSD(TQ) approaches: Dissociation of the N2 triple bond (2000) (185)
- STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER THEORY EMPLOYING THE SINGLE-REFERENCE FORMALISM : IMPLEMENTATION AND APPLICATION TO THE H8 MODEL SYSTEM (1994) (175)
- Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states (2004) (165)
- Where does the planar-to-nonplanar turnover occur in small gold clusters? (2005) (163)
- Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals (2006) (157)
- Extension of the renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed hamiltonian to open-shell systems: a benchmark study. (2007) (156)
- Combined coupled-cluster and many-body perturbation theories. (2004) (148)
- Theoretical models on the Cu2O2 torture track: mechanistic implications for oxytyrosinase and small-molecule analogues. (2006) (140)
- The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach (2000) (129)
- A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2 (2001) (119)
- Coupled-Cluster Theory for Three-Body Hamiltonians (2007) (109)
- Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results (2001) (108)
- Orthogonally spin‐adapted state‐universal coupled‐cluster formalism: Implementation of the complete two‐reference theory including cubic and quartic coupling terms (1994) (106)
- Coupled cluster calculations of ground and excited states of nuclei. (2003) (102)
- Thermochemical kinetics for multireference systems: addition reactions of ozone. (2009) (101)
- Orthogonally spin-adapted coupled-cluster equations involving singly and doubly excited clusters. Comparison of different procedures for spin-adaptation (1989) (101)
- Orthogonally spin-adapted multi-reference Hilbert space coupled-cluster formalism: diagrammatic formulation (1992) (99)
- Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules. (2005) (98)
- New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism (2001) (98)
- EOMXCC: A New Coupled-Cluster Method for Electronic Excited States (1999) (96)
- Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations (2006) (96)
- Coupled cluster approaches with an approximate account of triexcitations and the optimized inner projection technique (1990) (96)
- 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 (2009) (95)
- Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N2? The renormalized CCSDT(Q) study (2001) (94)
- Improved computational strategy for the state‐selective coupled‐cluster theory with semi‐internal triexcited clusters: Potential energy surface of the HF molecule (1995) (93)
- The XΣg+1, BΔg1, and B′Σg+1 states of C2: A comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks (2005) (93)
- Multilevel extension of the cluster-in-molecule local correlation methodology: merging coupled-cluster and Møller-Plesset perturbation theories. (2010) (93)
- Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt. (2005) (90)
- Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods. (2006) (87)
- Improved design of orbital domains within the cluster-in-molecule local correlation framework: single-environment cluster-in-molecule ansatz and its application to local coupled-cluster approach with singles and doubles. (2010) (85)
- Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule (1999) (84)
- Complete set of solutions of multireference coupled-cluster equations: The state-universal formalism (2000) (84)
- Extensive generalization of renormalized coupled-cluster methods. (2005) (83)
- The Cobalt-Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations. (2012) (80)
- Extension of the method of moments of coupled-cluster equations to a multireference wave operator formalism ☆ (2001) (78)
- 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 (2002) (74)
- Molecular quadrupole moment functions of HF and N2. I. Ab initio linear‐response coupled‐cluster results (1996) (73)
- The Ground State Electronic Energy of Benzene. (2020) (72)
- Active-space coupled-cluster methods (2010) (72)
- Ab-initio coupled-cluster study of 16O. (2005) (68)
- BREAKING BONDS WITH THE STATE-SELECTIVE MULTIREFERENCE COUPLED-CLUSTER METHOD EMPLOYING THE SINGLE-REFERENCE FORMALISM (1995) (64)
- Theoretical characterization of end-on and side-on peroxide coordination in ligated Cu2O2 models. (2006) (62)
- Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle-2-hole and 4-hole-2-particle excitations and their active-space extensions. (2013) (62)
- Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods (2012) (61)
- In Search of the Relationship between Multiple Solutions Characterizing Coupled-Cluster Theories (2000) (61)
- Frontiers in Quantum Systems in Chemistry and Physics (2008) (59)
- Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states. (2012) (58)
- Active-space coupled-cluster study of electronic states of Be3. (2005) (57)
- State-selective multi-reference coupled-cluster theory using multi-configuration self-consistent-field orbitals. A model study on H8 (1994) (56)
- Comparison of low-order multireference many-body perturbation theories. (2005) (56)
- Breaking bonds with the left eigenstate completely renormalized coupled-cluster method. (2007) (55)
- Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies (2011) (55)
- Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. II. Coupled-cluster results for cyclic-polyene model systems (1990) (54)
- State‐selective multireference coupled‐cluster theory: In pursuit of property calculation (1996) (54)
- Method of moments approach and coupled cluster theory (1991) (52)
- The state-selective coupled cluster method for quasi-degenerate electronic states (1998) (52)
- Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions. (2017) (52)
- Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions. (2018) (51)
- Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC‐XQDPT2, EOM‐CCSD, and TD‐DFT calculations (2013) (50)
- Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods (2006) (50)
- The State-Universal Multi-Reference Coupled-Cluster Theory: An Overview of Some Recent Advances (2002) (49)
- Detailed chemical kinetic modeling of JP-10 (exo- tetrahydrodicyclopentadiene) high-temperature oxidation: Exploring the role of biradical species in initial decomposition steps (2012) (48)
- 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 (2001) (48)
- Extension of coupled-cluster theory with a noniterative treatment of connected triply excited clusters to three-body Hamiltonians (2013) (48)
- Stereoelectronic effects on molecular geometries and state-energy splittings of ligated monocopper dioxygen complexes. (2008) (48)
- Orthogonally spin‐adapted single‐reference coupled‐cluster formalism: Linear response calculation of static properties (1995) (47)
- Solving the single‐reference coupled‐cluster equations involving highly excited clusters in quasidegenerate situations (1994) (46)
- Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals. (2007) (46)
- Advances in the Theory of Atomic and Molecular Systems (2009) (46)
- Approximate account of connected quadruply excited clusters in multi-reference Hilbert space coupled-cluster theory. Application to planar H4 models (1993) (45)
- Experimental and theoretical UV characterizations of acetylacetone and its isomers. (2006) (44)
- The nonadditive interactions in the Ar2HF and Ar2HCl clusters: An ab initio study (1993) (44)
- Coupled‐Cluster approaches with an approximate account of triply and quadruply excited clusters: Implementation of the orthogonally spin‐adapted CCD + ST(CCD), CCSD + T(CCSD), and ACPQ + ST(ACPQ) formalisms (1995) (44)
- Potential energy surfaces of NaFH (1998) (43)
- Balancing dynamic and nondynamic correlation for diradical and aromatic transition states: a renormalized coupled-cluster study of the cope rearrangement of 1,5-hexadiene. (2005) (43)
- Coupled-cluster calculations for valence systems around O 16 (2005) (42)
- A study of 1A1-3B1 separation in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods (1994) (41)
- Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC(P;Q) Formalism, with Benchmark Calculations for Singlet-Triplet Gaps in Biradical Systems. (2012) (41)
- The state-universal multi-reference coupled-cluster theory with perturbative description of core-virtual excitations (2001) (39)
- Benchmarking the completely renormalised equation-of-motion coupled-cluster approaches for vertical excitation energies (2015) (38)
- Complete set of solutions of the generalized Bloch equation (2000) (38)
- 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. (2007) (38)
- Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study (2001) (37)
- Property Evaluation Using the Two-Reference State-Universal Coupled-Cluster Method (1995) (36)
- The Usefulness of Exponential Wave Function Expansions Employing One- and Two-Body Cluster Operators in Electronic Structure Theory: The Extended and Generalized Coupled-Cluster Methods (2006) (36)
- Method of moments for the continuous transition between the Brillouin–Wigner-type and Rayleigh–Schrödinger-type multireference coupled cluster theories (2009) (35)
- Coupled quasidiabatic potential energy surfaces for LiFH (2002) (35)
- The Electronic Structure and Vibrational Spectrum of trans-HNOO (2004) (35)
- Electron correlation in one dimension: Coupled cluster approaches to cyclic polyene π-electron models (1992) (33)
- On the solution of coupled-cluster equations in the fully correlated limit of cyclic polyene model (1991) (32)
- The photoabsorption spectrum of Na⋯FH van der Waals molecule: Comparison of theory and experiment for a harpooning reaction studied by transition state spectroscopy (1998) (32)
- STATE-SELECTIVE MULTI-REFERENCE COUPLED-CLUSTER THEORY EMPLOYING THE SINGLE-REFERENCE FORMALISM : APPLICATION TO AN EXCITED STATE OF H8 (1995) (31)
- Photoluminescence, photophysics, and photochemistry of the VB− defect in hexagonal boron nitride (2020) (31)
- An ab initio determination of 1A1-3B1 energy gap in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods (1994) (31)
- Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mgn0, ± 1, n = 1–7 (2016) (29)
- Renormalized coupled-cluster calculations of reactive potential energy surfaces: A comparison of the CCSD(T), renormalized CCSD(T), and full configuration interaction results for the collinear BeFH system (2002) (29)
- Exactness of two-body cluster expansions in many-body quantum theory. (2003) (28)
- Is the mechanism of the [2+2] cycloaddition of cyclopentyne to ethylene concerted or biradical? A completely renormalized coupled cluster study. (2006) (28)
- New Alternatives for Electronic Structure Calculations: Renormalized, Extended, and Generalized Coupled-Cluster Theories (2003) (28)
- Spherical tensor theory of long-range interactions in a system of N arbitrary molecules including quantum-mechanical many-body effects (1986) (27)
- Method of Moments of Coupled-Cluster Equations: Externally Corrected Approaches Employing Configuration Interaction Wave Functions (2002) (27)
- Method of moments of coupled-cluster equations: The quasivariational and quadratic approximations (2003) (27)
- Combining active-space coupled-cluster approaches with moment energy corrections via the CC(P;Q) methodology: connected quadruple excitations (2017) (27)
- Dynamics of harpooning studied by transition state spectroscopy Na···FH (1997) (27)
- Extension of the active‐space equation‐of‐motion coupled‐cluster methods to radical systems: The EA‐EOMCCSDt and IP‐EOMCCSDt approaches (2006) (27)
- Extrapolating potential energy surfaces by scaling electron correlation at a single geometry (2006) (26)
- Communication: Determining the lowest-energy isomer of Au8: 2D, or not 2D. (2013) (26)
- Parallelization of multi-reference coupled-cluster method (2000) (25)
- Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths. (2012) (25)
- Renormalized Coupled-Cluster Calculations of Reactive Potential Energy Surfaces: The BeFH System† (2004) (25)
- Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method. (2008) (24)
- Non-iterative coupled-cluster methods employing multi-reference perturbation theory wave functions (2006) (24)
- On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and C2 (2008) (24)
- Dynamics of harpooning studied by transition state spectroscopy. II. Li⋅⋅FH (2000) (23)
- Application of renormalized coupled-cluster methods to potential function of water (2008) (21)
- The Exploration of Supramolecular Systems and Nanostructures by Photochemical Techniques (2011) (21)
- A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects. (2008) (20)
- Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer. (2017) (20)
- Coupled-cluster and configuration-interaction calculations for heavy nuclei. (2007) (19)
- Doubly electron-attached and doubly ionised equation-of-motion coupled-cluster methods with full and active-space treatments of 4-particle–2-hole and 4-hole–2-particle excitations: the role of orbital choices (2014) (19)
- Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadiene. (2008) (19)
- Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data. (2017) (18)
- Diffusion of Atomic Oxygen on the Si(100) Surface (2010) (18)
- Method of Moments of Coupled-Cluster Equations: A New Theoretical Framework for Designing "Black-Box" Approaches for Molecular Potential Energy Surfaces (2002) (18)
- MOLECULAR QUADRUPOLE MOMENT FUNCTION OF AMMONIA (1996) (18)
- Molecular quadrupole moment functions of HF and N2. II. Rovibrational effects (1996) (18)
- Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations. (2019) (17)
- Behavior of coupled cluster energy in the strongly correlated limit of the cyclic polyene model. Comparison with the exact results (1992) (17)
- Aerobic oxidation of methanol to formic acid on Au8-: benchmark analysis based on completely renormalized coupled-cluster and density functional theory calculations. (2013) (17)
- Potential energy curves for the HF− and CH3F− anions: a coupled cluster study (1997) (17)
- Theoretical studies of lithium bonding in lithium chloride/aliphatic amine complexes (1985) (17)
- 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 multireference quasidegenerate perturbation theory near a conical intersection and along a photodissociation coordin (2005) (16)
- Vibrational dependence of the dipole moment and radiative transition probabilities in the X1Sigma + state of HF: a linear-response coupled-cluster study (1998) (16)
- DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science (2022) (16)
- Bound and quasibound states of the Na⋯FH van der Waals molecule (2000) (16)
- 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 (2009) (15)
- RENORMALIZED COUPLED-CLUSTER METHODS: THEORETICAL FOUNDATIONS AND APPLICATION TO THE POTENTIAL FUNCTION OF WATER (2007) (14)
- Extension of Coupled Cluster Methodology to Open Shells: State Universal Approach (1992) (14)
- A General Reaction Path Dual-Level Direct Dynamics Calculation of the Reaction of Hydroxyl Radical with Dimethyl Sulfide (2000) (14)
- Communication: existence of the doubly excited state that mediates the photoionization of azulene. (2013) (13)
- Spherical tensor theory of long‐range interactions between two molecules (1984) (13)
- Center-of-mass problem in truncated configuration interaction and coupled-cluster calculations (2009) (13)
- The convergence of energy expansions for molecules in electrostatic fields: A linear‐response coupled‐cluster study (1997) (13)
- Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster Approaches. (2017) (13)
- Where Does the Planar‐to‐Nonplanar Turnover Occur in Small Gold Clusters? (2005) (12)
- Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle-One-Hole and Four-Particle-Two-Hole Excitations. (2017) (12)
- Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found (2020) (12)
- Note on the multipole expansion in the spherical tensor form (1985) (12)
- Nuclear Structure Calculations with Coupled Cluster Methods from Quantum Chemistry (2004) (12)
- Local Correlation Calculations Using Standard and Renormalized Coupled-Cluster Methods (2009) (12)
- Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene (2010) (12)
- Bound and quasi-bound states of the LiFH van der Waals molecule (2000) (11)
- A comparison of single-reference coupled-cluster and multi-reference configuration interaction methods for representative cuts of the H2S(1A′) potential energy surface (2008) (11)
- Biorthogonal method of moments of coupled‐cluster equations: Alternative derivation, further considerations, and application to a model magnetic system (2008) (10)
- Higher-order interaction energies for a system of N arbitrary molecules in the light of spherical tensor theory (1986) (10)
- Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction? (2021) (10)
- MAPLE symbolic computation of the long‐range many‐body intermolecular potentials: Three‐body induction forces between two atoms and a linear molecule (1993) (9)
- Performance of the completely renormalized equation-of-motion coupled-cluster method in calculations of excited-state potential cuts of water (2014) (9)
- Geometries and adiabatic excitation energies of the low-lying valence states of CNC, C2N, N3 and NCO studied with the electron-attached and ionized equation-of-motion coupled-cluster methodologies (2011) (9)
- Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent Density Functional Theory Calculations with the Equation-of-Motion Coupled-Cluster Results (2012) (9)
- The non-additivity of long-range interactions in second-order perturbation theory in the light of spherical tensor formalism (1984) (9)
- Evaluation of density functional methods on the geometric and energetic descriptions of species involved in Cu+-promoted catalysis (2013) (8)
- Proton Abstraction Mediates Interactions Between the Super Photobase FR0-SB and Surrounding Alcohol Solvent. (2019) (8)
- Bound and quasi-bound states of the Li⋯FH van der Waals molecule: The effects of the potential energy surface and of the basis set superposition error (2002) (8)
- Higher-order contributions to the intermolecular energy in the perturbation treatment of long-range forces in the light of spherical tensor theory (1984) (8)
- Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions (2012) (8)
- Coupled-cluster and configuration-interaction calculations for odd-A heavy nuclei. (2008) (8)
- Internal Conversion between Bright (11Bu+) and Dark (21Ag-) States in s-trans-Butadiene and s-trans-Hexatriene. (2021) (7)
- Accelerating convergence of equation-of-motion coupled-cluster computations using the semi-stochastic CC(P;Q) formalism (2020) (7)
- NONITERATIVE COUPLED-CLUSTER METHODS FOR EXCITED ELECTRONIC STATES (2006) (7)
- Towards Classification and Analytical Description of Molecular Interactions Including Quantum-Mechanical Many-Body Effects (1988) (7)
- High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons. (2021) (7)
- Infrared absorption line strengths of the Na⋯FH van der Waals molecule (1999) (7)
- Coupled-cluster calculations for ground and excited states of closed- and open-shell nuclei using methods of quantum chemistry (2005) (6)
- Intriguing accuracies of the exponential wave function expansions exploiting finite two-body correlation operators in calculations for many-electron systems (2006) (6)
- Ab initio coupled-cluster and configuration interaction calculations for O16 using the VUCOM interaction (2008) (6)
- Conceptual and computational advances in quantum chemistry (2009) (6)
- Application of the coupled-cluster CC(P;Q) approaches to the magnesium dimer (2019) (6)
- Communication: Coupled-cluster interpretation of the photoelectron spectrum of Au₃⁻. (2014) (6)
- Supplement to spherical tensor theory of long‐range interactions between two molecules (1985) (6)
- Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process (2022) (5)
- Controlling Quantum Interference between Virtual and Dipole Two-Photon Optical Excitation Pathways Using Phase-Shaped Laser Pulses. (2021) (5)
- High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction. (2021) (5)
- Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge model. (2020) (5)
- Spherical multipole moments and polarizabilities of tetrahedral and octahedral molecules (1984) (5)
- Lifetimes and dissociation pathways of the quasi-bound states of the Na· · ·FH van der Waals molecule (2000) (5)
- Steric effects in light-induced solvent proton abstraction. (2020) (4)
- Dipole Moment and Polarizability Functions of Ammonia: A Linear-Response Coupled-Cluster Study (1998) (4)
- Linear Scaling Local Correlation Extensions of the Standard and Renormalized Coupled-Cluster Methods (2009) (4)
- Coupled-cluster interpretation of the photoelectron spectrum of Ag3 (.). (2016) (3)
- Isoenergetic two-photon excitation enhances solvent-to-solute excited-state proton transfer. (2020) (3)
- Can NO2+ exist in bent or cyclic forms? (2001) (3)
- On the addition theorems for solid spherical harmonics (1986) (3)
- Double electron-attachment equation-of-motion coupled-cluster methods with up to 4-particle–2-hole excitations: improved implementation and application to singlet–triplet gaps in ortho-, meta-, and para-benzyne isomers (2021) (3)
- Bridging quantum chemistry and nuclear structure theory: Coupled‐cluster calculations for closed‐ and open‐shell nuclei (2005) (3)
- Femtosecond real-time probing of reactions MMXVII: The predissociation of sodium iodide in the A 0+ state (2017) (3)
- Benchmarking the semi-stochastic CC(P;Q) approach for singlet-triplet gaps in biradicals. (2022) (2)
- Erratum: Theoretical models on the Cu2O2 torture track: Mechanistic implications for oxytyrosinase and small-molecule analogues (Journal of Physical Chemistry A (2006) 110A (1991-2004)) (2007) (2)
- Ab initio coupled-cluster and multi-reference configuration interaction studies of the low-lying electronic states of 1,2,3,4-cyclobutanetetraone (2016) (2)
- COUPLED-CLUSTER THEORY FOR NUCLEI (2006) (2)
- Spherical tensor theory of long-range interactions in a system of N arbitrary molecules including quantum-mechanical many-body effects IV. The use of cartesian-spherical transformation formalism (1989) (2)
- Extrapolating Potential Energy Surfaces by Scaling Electron Correlation: Isomerization of Bicyclobutane to Butadiene (2008) (2)
- The X1Sigmag+, B1Deltag, and B' 1Sigmag+ states of C2: a comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks. (2005) (2)
- Magnetic and structural properties of sputtered Fe-N thin films (1995) (2)
- New alternatives for accurate electronic structure calculations of potential energy surfaces involving bond breaking (2007) (2)
- Addressing strong correlation by approximate coupled-pair methods with active-space and full treatments of three-body clusters (2021) (2)
- Invariance properties of the multipole expansion (1982) (2)
- Ab initio coupled cluster calculations for nuclei using methods of quantum chemistry (2005) (2)
- Erratum: Theoretical character-ization of end-on and side-on peroxide coordination in ligated Cu2O2 models (Journal of Physical Chemistry A (2006) 110A (11557-11568)) (2007) (2)
- Excited-State Dynamics of a Substituted Fluorene Derivative. The Central Role of Hydrogen Bonding Interactions with the Solvent. (2021) (1)
- Classification of two- and many-body fourth-order induction interaction energies in an arbitrary multimolecular system (1988) (1)
- Cartesian-Spherical Transformation Formalism and the Theoretical Insight into Many-Body Long-Range Forces of the Electrostatic Origin in Multimolecular Systems (1987) (1)
- Parallelization of a legacy research program using OpenMP (2000) (1)
- Nuclei and mesoscopic physics : Workshop on Nuclei and Mesoscopic Physics, WNMP 2007, East Lansing, Michigan, 20-22 October 2007 (2005) (1)
- Erratum: “Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study” [J. Chem. Phys. 115, 7945 (2001)] (2003) (1)
- COUPLED CLUSTER APPROACHES TO NUCLEI, GROUND STATES AND EXCITED STATES (2005) (1)
- Method of Moments of Coupled Cluster Equations Employing Multi-Reference Perturbation Theory Wavefunctions: General Formalism, Diagrammatic Formulation, Implementation, and Benchmark Studies (2008) (1)
- Special Issue : Proceedings from the Fourteenth European Workshop on Quantum Systems in Chemistry and Physics Preface (2011) (0)
- Quantum Chemistry, Reaction Dynamics, and Intermolecular Forces (2000) (0)
- Photoluminescence, photophysics, and photochemistry of the ${{\rm{V}}_{\rm{B}}}^ -$ defect in hexagonal boron nitride (2020) (0)
- Spectral phase control of the quantum interference between two- photon optical excitation pathways (2021) (0)
- Dealing with chemical reaction pathways and electronic excitations in molecular systems via renormalized and active-space coupled-cluster methods (2015) (0)
- Computing Quantum Chemical Results without Doing Quantum Chemistry : A Machine Learning Shortcut (2015) (0)
- Front Matter for Volume 995 (2008) (0)
- Theoretical Characterization of End-On and Side-On Peroxide Coordination in Ligated Cu2O2 Models (2007) (0)
- Back Matter for Volume 995 (2008) (0)
- Intramolecular Relaxation Dynamics Mediated by Solvent-Solute Interactions of Substituted Fluorene Derivatives. Solute Structural Dependence. (2021) (0)
- Noniterative coupled-cluster methods for bond breaking, diradicals, and excited electronic states (2005) (0)
- S ep 2 00 7 Coupled-cluster theory for three-body Hamiltonians (0)
- AIP Conference Proceedings: Preface (2008) (0)
- The X , B , and B ′ states of C 2 : A comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks (2013) (0)
- 0 50 10 67 v 1 2 6 Ja n 20 05 Ab initio coupled-cluster study of 16 (2018) (0)
- Femtosecond intramolecular rearrangement of the CH3NCS radical cation. (2022) (0)
This paper list is powered by the following services:
Other Resources About Piotr Piecuch
What Schools Are Affiliated With Piotr Piecuch?
Piotr Piecuch is affiliated with the following schools:
