K
Kirk A. Peterson
Researcher at Washington State University
Publications - 322
Citations - 32341
Kirk A. Peterson is an academic researcher from Washington State University. The author has contributed to research in topics: Coupled cluster & Ab initio. The author has an hindex of 70, co-authored 313 publications receiving 29150 citations. Previous affiliations of Kirk A. Peterson include Environmental Molecular Sciences Laboratory & Washington State University Tri-Cities.
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Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
TL;DR: In this paper, correlation consistent and augmented correlation consistent basis sets for the third row main group atoms gallium through krypton were determined for the gallium atom, and the results showed good convergence to an apparent complete basis set limit.
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Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements
TL;DR: In this article, a series of correlation consistent basis sets have been developed for the post-d group 16-18 elements in conjunction with small-core relativistic pseudopotentials of the energy-consistent variety.
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Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited
TL;DR: In this paper, the authors show that the cause of these errors is a result of two inter-related problems: near duplication of the exponents in two of the d sets and a lack of high-exponent functions in the early members of the sets.
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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 +1 more
TL;DR: In this article, two different optimization strategies were investigated, which led to two families of core-valence basis sets when the optimized functions were added to the standard correlation consistent basis sets (cc-pVnZ).
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Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction
TL;DR: In this paper, the authors used correlation consistent Gaussian basis sets from double to sextuple zeta quality to estimate the barrier height of the H+H2 exchange reaction.