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Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets

J. Hill, K. Peterson, G. Knizia, and H. Werner. J. Chem. Phys., (2009)
DOI: 10.1063/1.3265857

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A. Laukemann

A. Vo{\ss}

A. Afkari

Other publications of authors with the same name

The photodissociation of ClO₂: Potential energy surfaces of OClO→Cl+O₂K. Peterson, and H. Werner. J. Chem. Phys., 105 (22): 9823–9832 (1996)Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis setsJ. Hill, K. Peterson, G. Knizia, and H. Werner. J. Chem. Phys., (2009)Anharmonic zero point vibrational energies: Tipping the scales in accurate thermochemistry calculations?F. Pfeiffer, G. Rauhut, D. Feller, and K. Peterson. J. Chem. Phys., 138 (4): 044311 (January 2013)Convergence of Breit–Pauli spin–orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and BrA. Nicklass, K. Peterson, A. Berning, H. Werner, and P. Knowles. J. Chem. Phys., 112 (13): 5624–5632 (2000)Multireference configuration interaction calculations of the low-lying electronic states of ClO₂K. Peterson, and H. Werner. J. Chem. Phys., 96 (12): 8948–8961 (1992)Explicitly correlated composite thermochemistry of transition metal speciesD. Bross, J. Hill, H. Werner, and K. Peterson. J. Chem. Phys., (2013)The Molpro Quantum Chemistry PackageH. Werner, P. Knowles, F. Manby, J. Black, K. Doll, A. Heßelmann, D. Kats, A. Köhn, T. Korona, D. Kreplin and 7 other author(s). The Journal of Chemical Physics, 152 (14): 144107 (2020)Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B-Ne, and Al-ArK. Peterson, T. Adler, and H. Werner. J. Chem. Phys., (2008)Spectroscopic properties of the X¹Σ⁺ and a 3Π electronic states of CF⁺, SiF⁺, and CCl⁺ by multireference configuration interactionK. Peterson, R. Claude Woods, P. Rosmus, and H. Werner. J. Chem. Phys., 93 (3): 1889–1894 (1990)A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methodsC. Hampel, K. Peterson, and H. Werner. Chem. Phys. Lett., 190 (1-2): 1–12 (1992)

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Disambiguation of "Peterson, Kirk A."

Please choose a person to relate this publication to

A. Laukemann

A. Laukemann

A. Laukemann

A. Vo{\ss}

A. Afkari

Other publications of authors with the same name

Disambiguation