Kirk A. Peterson

Research.com Recognitions

• 2014 - Fellow of the American Chemical Society
• 2011 - Fellow of American Physical Society (APS) Citation For his substantial accomplishments in quantum chemistry, notably his development of quantum chemical methods including the extension of the correlation consistent basis sets to nearly the entire Periodic Table and for his elegant applications in main group chemistry
• 2011 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

Best Publications

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

  Angela K. Wilson;David E. Woon;Kirk A. Peterson;Kirk A. Peterson;Thorn H. Dunning

  9941
  Citations

• Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements

  Kirk A. Peterson;Detlev Figgen;Erich Goll;Hermann Stoll

  2975
  Citations

• 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

  2083
  Citations

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

  Kirk A. Peterson;David E. Woon;Thom H. Dunning

  2073
  Citations

• Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn

  Nikolai B. Balabanov;Kirk A. Peterson

  1997
  Citations

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

  Claudia Hampel;Kirk A. Peterson;Hans-Joachim Werner

  1872
  Citations

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

  Thom H. Dunning;Kirk A. Peterson;Angela K. Wilson

  1855
  Citations

• Systematically convergent basis sets for explicitly correlated wavefunctions: the atoms H, He, B-Ne, and Al-Ar.

  Kirk A. Peterson;Thomas B. Adler;Hans-Joachim Werner

  1489
  Citations

• Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd.

  Kirk A. Peterson;Detlev Figgen;Michael Dolg;Hermann Stoll

  1297
  Citations

• 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

  Kirk A Peterson;Cristina Puzzarini;Cristina Puzzarini

  1273
  Citations

• Systematically convergent basis sets with relativistic pseudopotentials. I. Correlation consistent basis sets for the post-d group 13–15 elements

  Kirk A. Peterson

  1056
  Citations

• The Molpro quantum chemistry package.

  Hans-Joachim Werner;Peter J. Knowles;Frederick R. Manby;Joshua A. Black

  1007
  Citations

• On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions.

  Kirk A. Peterson;Benjamin C. Shepler;Detlev Figgen;Hermann Stoll

  943
  Citations

• Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt.

  Detlev Figgen;Kirk A. Peterson;Michael Dolg;Hermann Stoll

  895
  Citations

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

  Brian P. Prascher;David E. Woon;Kirk A. Peterson;Thom H. Dunning

  770
  Citations

• Magnetic bistability of molecules in homogeneous solution at room temperature.

  S. Venkataramani;U. Jana;M. Dommaschk;F. D. Sönnichsen

  618
  Citations

• Optimized auxiliary basis sets for explicitly correlated methods

  Kazim E. Yousaf;Kirk A. Peterson

  587
  Citations

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

  Branko Ruscic;Albert F. Wagner;Lawrence B. Harding;Robert L. Asher

  564
  Citations

• Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges

  Kirk A. Peterson;David Feller;David A. Dixon

  510
  Citations

• The nature of halogen...halogen synthons: crystallographic and theoretical studies.

  Firas F. Awwadi;Roger D. Willett;Kirk A. Peterson;Brendan Twamley

  482
  Citations