Kirk A. Peterson

发表

On the Development of Accurate Gaussian Basis Sets for f-Block Elements

Kirk A. Peterson, John Grant Hill, K. Peterson, 2018 .

Thom H. Dunning, Jr.: Contributions to chemical theory and computing

Angela K. Wilson, Kirk A. Peterson, David E. Woon, 2014, Theoretical Chemistry Accounts.

COMPOSITE APPROACHES FOR AB INITIO SPECTROSCOPY: THE CCN, CCSb, AND HNNO RADICALS

J. Grant Hill, Joseph S. Francisco, Kirk A. Peterson, 2011 .

Ab initio potential energy surface and vibrational-rotational energy levels of X2Σ+ CaOH

Jacek Koput, Kirk A. Peterson, K. Peterson, 2002 .

Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited

Angela K. Wilson, Kirk A. Peterson, Thom H. Dunning, 2001 .

The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets

Angela K. Wilson, Tanja van Mourik, Kirk A. Peterson, 1998 .

Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 2002 .

The cc-pV5Z-F12 basis set: reaching the basis set limit in explicitly correlated calculations

Manoj K. Kesharwani, Kirk A. Peterson, Manoj Kumar Kesharwani, 2014, 1411.6827.

Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values

Branko Ruscic, David Feller, Kirk A. Peterson, 2013, Theoretical Chemistry Accounts.

Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements

Cristina Puzzarini, Kirk A. Peterson, K. Peterson, 2005 .

An extended basis set ab initio study of Li+(H2O)n, n=1–6

David Feller, Rick A. Kendall, Eric D. Glendening, 1994 .

Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

Angela K. Wilson, Kirk A. Peterson, Thom H. Dunning, 2011 .

Application of explicitly correlated coupled-cluster methods to molecules containing post-3d main group elements

Hans-Joachim Werner, Hermann Stoll, Kirk A. Peterson, 2011 .

Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction

Kirk A. Peterson, Thom H. Dunning, David E. Woon, 1994 .

Benchmark calculations with correlated molecular wave functions XII. Core correlation effects on the homonuclear diatomic molecules B2-F2

Angela K. Wilson, Kirk A. Peterson, David E. Woon, 1997 .

Optimized complementary auxiliary basis sets for explicitly correlated methods: aug-cc-pVnZ orbital basis sets

Kirk A. Peterson, K. Peterson, Kazim E. Yousaf, 2009 .

BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE FUNCTIONS. III: CONFIGURATION INTERACTION CALCULATIONS ON FIRST ROW HOMONUCLEAR DIATOMICS

Rick A. Kendall, Kirk A. Peterson, Thom H. Dunning, 1993 .

On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

Branko Ruscic, Lawrence B. Harding, David Feller, 2002 .

Molecular dynamics simulations of liquid, interface, and ionic solvation of polarizable carbon tetrachloride

Kirk A. Peterson, K. Peterson, L. Dang, 1995 .

Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton

Angela K. Wilson, Kirk A. Peterson, David E. Woon, 1993 .

Benchmark calculations with correlated molecular wave functions. II. Configuration interaction calculations on first row diatomic hydrides

Rick A. Kendall, Kirk A. Peterson, T. H. Dunning, 1993 .

A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods

Hans-Joachim Werner, Kirk A. Peterson, H. Werner, 1992 .

Explicitly Correlated Coupled Cluster Calculations for Molecules Containing Group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) Elements: Optimized Complementary Auxiliary Basis Sets for Valence and Core–Valence Basis Sets

Kirk A. Peterson, J. Grant Hill, K. Peterson, 2012 .

The CO molecule: the role of basis set and correlation treatment in the calculation of molecular properties

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 1997 .

Intrinsic Errors in Several ab Initio Methods: The Dissociation Energy of N2

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 1995 .

Computer Simulation of Chloroform with a Polarizable Potential Model

Kirk A. Peterson, K. Peterson, L. Dang, 1997 .

BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE FUNCTIONS. VII: BINDING ENERGY AND STRUCTURE OF THE HF DIMER

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 1995 .

Complete active space self‐consistent field potential energy surfaces, dipole moment functions, and spectroscopic properties of O3, CF2, NO−2, and NF+2

Rudolph C. Mayrhofer, Edwin L. Sibert, Kirk A. Peterson, 1991 .

Evidence for a Lower Enthalpy of Formation of Hydroxyl Radical and a Lower Gas-Phase Bond Dissociation Energy of Water

Branko Ruscic, Lawrence B. Harding, David Feller, 2001 .

Approximating the basis set dependence of coupled cluster calculations: Evaluation of perturbation theory approximations for stable molecules

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 2000 .

Quantum calculations of the rate constant for the O(3P)+HCl reaction on new ab initio 3A″ and 3A′ surfaces

Joel M. Bowman, Kirk A. Peterson, J. Bowman, 2003 .

A hierarchical family of global analytic Born-Oppenheimer potential energy surfaces for the H+H2 reaction ranging in quality from double-zeta to the complete basis set limit

B. C. Garrett, Bruce C. Garrett, Kirk A. Peterson, 2002 .

Explicitly correlated composite thermochemistry of transition metal species.

Kirk A. Peterson, J. Grant Hill, H. Werner, 2013, The Journal of chemical physics.